CID 45479568

L-prolinylglycine

Structural Information

Molecular Formula
C7H14N2O3
SMILES
C1C[C@H](NC1)CONCC(=O)O
InChI
InChI=1S/C7H14N2O3/c10-7(11)4-9-12-5-6-2-1-3-8-6/h6,8-9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKey
XASIIFOIMAXKBF-LURJTMIESA-N
Compound name
2-[[(2S)-pyrrolidin-2-yl]methoxyamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10045 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.107726 137.7
[M+Na]+ 197.089668 141.8
[M-H]- 173.093174 136.3
[M+NH4]+ 192.134273 156.0
[M+K]+ 213.063608 140.5
[M+H-H2O]+ 157.097710 131.1
[M+HCOO]- 219.098651 157.2
[M+CH3COO]- 233.114301 174.6
[M+Na-2H]- 195.075116 140.8
[M]+ 174.09990142 133.5
[M]- 174.10099858 133.5
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.