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

17
Patents

234.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.4
[M+Na]+ 257.126048 159.4
[M-H]- 233.129554 158.7
[M+NH4]+ 252.170653 171.8
[M+K]+ 273.099988 156.8
[M+H-H2O]+ 217.134090 146.4
[M+HCOO]- 279.135031 175.8
[M+CH3COO]- 293.150681 190.3
[M+Na-2H]- 255.111496 156.0
[M]+ 234.13628142 151.6
[M]- 234.13737858 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