CID 2756489

141774-68-7

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)CN
InChI
InChI=1S/C13H18N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m0/s1
InChIKey
NQGRCKNDDGCZPV-LBPRGKRZSA-N
Compound name
benzyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

234.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.4
[M+Na]+ 257.12605 159.4
[M-H]- 233.12955 158.7
[M+NH4]+ 252.17065 171.8
[M+K]+ 273.09999 156.8
[M+H-H2O]+ 217.13409 146.4
[M+HCOO]- 279.13503 175.8
[M+CH3COO]- 293.15068 190.3
[M+Na-2H]- 255.11150 156.0
[M]+ 234.13628 151.6
[M]- 234.13738 151.6
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

patents stripe