CID 10198518

1-cyclopentyl-1,2,3-benzotriazole-5-carboxylic acid

Structural Information

Molecular Formula
C12H13N3O2
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=N2
InChI
InChI=1S/C12H13N3O2/c16-12(17)8-5-6-11-10(7-8)13-14-15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,16,17)
InChIKey
PFTXWYUOGYWVRS-UHFFFAOYSA-N
Compound name
1-cyclopentylbenzotriazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

231.10077 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.3
[M+Na]+ 254.08999 161.9
[M+NH4]+ 249.13459 157.5
[M+K]+ 270.06393 160.4
[M-H]- 230.09349 151.2
[M+Na-2H]- 252.07544 155.5
[M]+ 231.10022 151.9
[M]- 231.10132 151.9
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