CID 137701724

2059936-64-8

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1CC(C1)N2C3=C(CCC(C3)C(=O)O)N=N2
InChI
InChI=1S/C11H15N3O2/c15-11(16)7-4-5-9-10(6-7)14(13-12-9)8-2-1-3-8/h7-8H,1-6H2,(H,15,16)
InChIKey
SUWVIVJWXAWXMY-UHFFFAOYSA-N
Compound name
3-cyclobutyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 147.3
[M+Na]+ 244.10564 152.4
[M-H]- 220.10914 148.8
[M+NH4]+ 239.15024 156.9
[M+K]+ 260.07958 152.8
[M+H-H2O]+ 204.11368 134.0
[M+HCOO]- 266.11462 161.3
[M+CH3COO]- 280.13027 189.0
[M+Na-2H]- 242.09109 149.2
[M]+ 221.11587 152.3
[M]- 221.11697 152.3
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.