CID 448582

N-succinyl phenylglycine

Structural Information

Molecular Formula
C12H13NO5
SMILES
C1=CC=C(C=C1)[C@H](C(=O)O)NC(=O)CCC(=O)O
InChI
InChI=1S/C12H13NO5/c14-9(6-7-10(15)16)13-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t11-/m1/s1
InChIKey
GQFHIYFXQQEWME-LLVKDONJSA-N
Compound name
4-[[(R)-carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

251.07938 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08666 155.0
[M+Na]+ 274.06860 158.8
[M-H]- 250.07210 155.3
[M+NH4]+ 269.11320 169.4
[M+K]+ 290.04254 157.4
[M+H-H2O]+ 234.07664 148.3
[M+HCOO]- 296.07758 174.2
[M+CH3COO]- 310.09323 191.1
[M+Na-2H]- 272.05405 156.0
[M]+ 251.07883 153.8
[M]- 251.07993 153.8
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