CID 23434164

2-(2h-1,2,3-triazol-2-yl)acetic acid

Structural Information

Molecular Formula
C4H5N3O2
SMILES
C1=NN(N=C1)CC(=O)O
InChI
InChI=1S/C4H5N3O2/c8-4(9)3-7-5-1-2-6-7/h1-2H,3H2,(H,8,9)
InChIKey
AUEJAOKPOPOGHM-UHFFFAOYSA-N
Compound name
2-(triazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

127.03818 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.045456 122.1
[M+Na]+ 150.027398 131.1
[M-H]- 126.030904 120.7
[M+NH4]+ 145.072003 141.1
[M+K]+ 166.001338 130.5
[M+H-H2O]+ 110.035440 114.8
[M+HCOO]- 172.036381 143.2
[M+CH3COO]- 186.052031 166.0
[M+Na-2H]- 148.012846 128.7
[M]+ 127.03763142 122.1
[M]- 127.03872858 122.1
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