CID 59603650

1154030-60-0

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCOC(=O)CN1C=C(N=N1)C
InChI
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-10-4-6(2)8-9-10/h4H,3,5H2,1-2H3
InChIKey
LRCRJWSWTZYILW-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methyltriazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

169.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 134.9
[M+Na]+ 192.074348 144.1
[M-H]- 168.077854 134.8
[M+NH4]+ 187.118953 153.3
[M+K]+ 208.048288 143.6
[M+H-H2O]+ 152.082390 127.2
[M+HCOO]- 214.083331 156.6
[M+CH3COO]- 228.098981 178.1
[M+Na-2H]- 190.059796 139.8
[M]+ 169.08458142 138.2
[M]- 169.08567858 138.2
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