CID 137964786

(1r,3r)-3-(1h-1,2,3-triazol-1-yl)cyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1C(CC1N2C=CN=N2)C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)5-3-6(4-5)10-2-1-8-9-10/h1-2,5-6H,3-4H2,(H,11,12)
InChIKey
GCSPYVYAFQVFLT-UHFFFAOYSA-N
Compound name
3-(triazol-1-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 131.9
[M+Na]+ 190.05869 138.4
[M-H]- 166.06219 133.3
[M+NH4]+ 185.10329 142.7
[M+K]+ 206.03263 140.0
[M+H-H2O]+ 150.06673 119.0
[M+HCOO]- 212.06767 150.2
[M+CH3COO]- 226.08332 177.9
[M+Na-2H]- 188.04414 135.7
[M]+ 167.06892 139.0
[M]- 167.07002 139.0
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.