CID 20825

N-phthaloylglycine

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O
InChI
InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
InChIKey
WQINSVOOIJDOLJ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

1776
Patents

205.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 139.1
[M+Na]+ 228.026718 149.0
[M-H]- 204.030224 141.7
[M+NH4]+ 223.071323 159.1
[M+K]+ 244.000658 146.3
[M+H-H2O]+ 188.034760 133.6
[M+HCOO]- 250.035701 160.1
[M+CH3COO]- 264.051351 182.2
[M+Na-2H]- 226.012166 143.0
[M]+ 205.03695142 140.3
[M]- 205.03804858 140.3
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