CID 3064685

Cis-1-((2-(aminomethyl)-1-phenylcyclopropyl)carbonyl)pyrrolidine oxalate hydrate (2:2:1)

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CCN(C1)C(=O)[C@@]2(C[C@H]2CN)C3=CC=CC=C3
InChI
InChI=1S/C15H20N2O/c16-11-13-10-15(13,12-6-2-1-3-7-12)14(18)17-8-4-5-9-17/h1-3,6-7,13H,4-5,8-11,16H2/t13-,15-/m0/s1
InChIKey
WDLBUKLHPSKQTF-ZFWWWQNUSA-N
Compound name
[(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 155.6
[M+Na]+ 267.146778 162.6
[M-H]- 243.150284 163.7
[M+NH4]+ 262.191383 169.7
[M+K]+ 283.120718 158.9
[M+H-H2O]+ 227.154820 148.5
[M+HCOO]- 289.155761 176.4
[M+CH3COO]- 303.171411 195.8
[M+Na-2H]- 265.132226 157.9
[M]+ 244.15701142 153.9
[M]- 244.15810858 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.