CID 11622459

34290-71-6

Structural Information

Molecular Formula
C8H14N2O3
SMILES
COC(=O)CNC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C8H14N2O3/c1-13-7(11)5-10-8(12)6-3-2-4-9-6/h6,9H,2-5H2,1H3,(H,10,12)/t6-/m0/s1
InChIKey
QDBAGUYLJBESHO-LURJTMIESA-N
Compound name
methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

186.10045 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 142.0
[M+Na]+ 209.08967 146.3
[M-H]- 185.09317 142.1
[M+NH4]+ 204.13427 160.7
[M+K]+ 225.06361 145.6
[M+H-H2O]+ 169.09771 135.3
[M+HCOO]- 231.09865 161.9
[M+CH3COO]- 245.11430 178.8
[M+Na-2H]- 207.07512 143.8
[M]+ 186.09990 138.6
[M]- 186.10100 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe