CID 39870985

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

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)N2N=CC(=N2)CC(=O)O
InChI
InChI=1S/C10H9N3O2/c14-10(15)6-8-7-11-13(12-8)9-4-2-1-3-5-9/h1-5,7H,6H2,(H,14,15)
InChIKey
ZCYGMFCBXFGAKO-UHFFFAOYSA-N
Compound name
2-(2-phenyltriazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.06947 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 142.1
[M+Na]+ 226.058688 150.7
[M-H]- 202.062194 143.9
[M+NH4]+ 221.103293 157.8
[M+K]+ 242.032628 147.6
[M+H-H2O]+ 186.066730 133.4
[M+HCOO]- 248.067671 162.7
[M+CH3COO]- 262.083321 180.8
[M+Na-2H]- 224.044136 147.3
[M]+ 203.06892142 142.1
[M]- 203.07001858 142.1
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