CID 21331076

1092286-86-6

Structural Information

Molecular Formula
C5H7N3O2
SMILES
COC(=O)CC1=NNN=C1
InChI
InChI=1S/C5H7N3O2/c1-10-5(9)2-4-3-6-8-7-4/h3H,2H2,1H3,(H,6,7,8)
InChIKey
UEDZYAFQOOJYCC-UHFFFAOYSA-N
Compound name
methyl 2-(2H-triazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 127.0
[M+Na]+ 164.04305 135.6
[M-H]- 140.04655 125.4
[M+NH4]+ 159.08765 145.4
[M+K]+ 180.01699 134.7
[M+H-H2O]+ 124.05109 119.5
[M+HCOO]- 186.05203 147.8
[M+CH3COO]- 200.06768 168.3
[M+Na-2H]- 162.02850 133.0
[M]+ 141.05328 127.2
[M]- 141.05438 127.2
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