CID 82597297

4,5,6,7-tetrahydro-1h-1,2,3-benzotriazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CC(C2=NNN=C2C1)C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)4-2-1-3-5-6(4)9-10-8-5/h4H,1-3H2,(H,11,12)(H,8,9,10)
InChIKey
IUDLCHGGUCHFAS-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-2H-benzotriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.06947 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 134.7
[M+Na]+ 190.05869 144.5
[M+NH4]+ 185.10329 141.3
[M+K]+ 206.03263 142.4
[M-H]- 166.06219 133.0
[M+Na-2H]- 188.04414 137.5
[M]+ 167.06892 135.1
[M]- 167.07002 135.1
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

patents stripe