CID 177800003

5h,6h,7h,8h,9h-imidazo[1,2-a]azepine-9-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CCN2C=CN=C2C(C1)C(=O)O
InChI
InChI=1S/C9H12N2O2/c12-9(13)7-3-1-2-5-11-6-4-10-8(7)11/h4,6-7H,1-3,5H2,(H,12,13)
InChIKey
HPKBSXRPQGLMGX-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 134.8
[M+Na]+ 203.07909 140.5
[M-H]- 179.08259 136.5
[M+NH4]+ 198.12369 152.8
[M+K]+ 219.05303 142.0
[M+H-H2O]+ 163.08713 127.9
[M+HCOO]- 225.08807 152.2
[M+CH3COO]- 239.10372 179.4
[M+Na-2H]- 201.06454 139.0
[M]+ 180.08932 129.5
[M]- 180.09042 129.5
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.