CID 69442294

4-(1h-1,2,3-triazol-1-yl)butanoic acid

Structural Information

Molecular Formula
C6H9N3O2
SMILES
C1=CN(N=N1)CCCC(=O)O
InChI
InChI=1S/C6H9N3O2/c10-6(11)2-1-4-9-5-3-7-8-9/h3,5H,1-2,4H2,(H,10,11)
InChIKey
WFDZPCVPOXGSBW-UHFFFAOYSA-N
Compound name
4-(triazol-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

155.06947 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 131.2
[M+Na]+ 178.05869 139.3
[M-H]- 154.06219 129.4
[M+NH4]+ 173.10329 149.0
[M+K]+ 194.03263 138.2
[M+H-H2O]+ 138.06673 123.5
[M+HCOO]- 200.06767 151.7
[M+CH3COO]- 214.08332 172.0
[M+Na-2H]- 176.04414 136.7
[M]+ 155.06892 131.9
[M]- 155.07002 131.9
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