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 160.3
[M+Na]+ 267.14678 172.1
[M+NH4]+ 262.19138 170.4
[M+K]+ 283.12072 166.9
[M-H]- 243.15028 171.7
[M+Na-2H]- 265.13223 170.8
[M]+ 244.15701 166.3
[M]- 244.15811 166.3
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.