CID 53981275

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

Structural Information

Molecular Formula
C5H7N3O2
SMILES
C1=NNN=C1CCC(=O)O
InChI
InChI=1S/C5H7N3O2/c9-5(10)2-1-4-3-6-8-7-4/h3H,1-2H2,(H,9,10)(H,6,7,8)
InChIKey
JYKLORHRQMBGDN-UHFFFAOYSA-N
Compound name
3-(2H-triazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

141.05383 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 128.3
[M+Na]+ 164.04305 137.9
[M+NH4]+ 159.08765 133.9
[M+K]+ 180.01699 136.2
[M-H]- 140.04655 125.6
[M+Na-2H]- 162.02850 132.0
[M]+ 141.05328 128.4
[M]- 141.05438 128.4
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