CID 10857011

3-amino-1-benzylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CN(CC1(C(=O)O)N)CC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O2/c13-12(11(15)16)6-7-14(9-12)8-10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)
InChIKey
IXBOFOMZFVXPTF-UHFFFAOYSA-N
Compound name
3-amino-1-benzylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

220.12119 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.5
[M+Na]+ 243.11041 155.4
[M-H]- 219.11391 152.9
[M+NH4]+ 238.15501 168.7
[M+K]+ 259.08435 152.3
[M+H-H2O]+ 203.11845 142.7
[M+HCOO]- 265.11939 169.8
[M+CH3COO]- 279.13504 185.7
[M+Na-2H]- 241.09586 152.4
[M]+ 220.12064 145.0
[M]- 220.12174 145.0
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