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]+ 245.16484 155.6
[M+Na]+ 267.14678 162.6
[M-H]- 243.15028 163.7
[M+NH4]+ 262.19138 169.7
[M+K]+ 283.12072 158.9
[M+H-H2O]+ 227.15482 148.5
[M+HCOO]- 289.15576 176.4
[M+CH3COO]- 303.17141 195.8
[M+Na-2H]- 265.13223 157.9
[M]+ 244.15701 153.9
[M]- 244.15811 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.