CID 121552600

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

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CN1N=CC(=N1)CCC(=O)O
InChI
InChI=1S/C6H9N3O2/c1-9-7-4-5(8-9)2-3-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKey
BAZKYDVZODLMSN-UHFFFAOYSA-N
Compound name
3-(2-methyltriazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

155.06947 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 131.1
[M+Na]+ 178.05869 140.1
[M-H]- 154.06219 129.7
[M+NH4]+ 173.10329 149.2
[M+K]+ 194.03263 138.9
[M+H-H2O]+ 138.06673 123.7
[M+HCOO]- 200.06767 151.5
[M+CH3COO]- 214.08332 173.1
[M+Na-2H]- 176.04414 135.9
[M]+ 155.06892 132.1
[M]- 155.07002 132.1
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