CID 1514376

1h-perimidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C(=O)O
InChI
InChI=1S/C12H8N2O2/c15-12(16)11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H,13,14)(H,15,16)
InChIKey
SSLKCRRRVHOPOI-UHFFFAOYSA-N
Compound name
1H-perimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

475
Patents

212.05858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06586 144.3
[M+Na]+ 235.04780 153.0
[M-H]- 211.05130 143.8
[M+NH4]+ 230.09240 161.1
[M+K]+ 251.02174 148.0
[M+H-H2O]+ 195.05584 136.9
[M+HCOO]- 257.05678 160.0
[M+CH3COO]- 271.07243 155.6
[M+Na-2H]- 233.03325 153.3
[M]+ 212.05803 142.9
[M]- 212.05913 142.9
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