CID 165668514

2408958-68-7

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1CNC(=O)C2=CC(=CN2C1)C(=O)O
InChI
InChI=1S/C9H10N2O3/c12-8-7-4-6(9(13)14)5-11(7)3-1-2-10-8/h4-5H,1-3H2,(H,10,12)(H,13,14)
InChIKey
KLMLWJJFDIRDFJ-UHFFFAOYSA-N
Compound name
1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 138.0
[M+Na]+ 217.05836 145.5
[M+NH4]+ 212.10296 143.5
[M+K]+ 233.03230 145.2
[M-H]- 193.06186 136.2
[M+Na-2H]- 215.04381 140.2
[M]+ 194.06859 138.1
[M]- 194.06969 138.1
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.