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

66
Patents

169.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 134.9
[M+Na]+ 192.07435 144.1
[M-H]- 168.07785 134.8
[M+NH4]+ 187.11895 153.3
[M+K]+ 208.04829 143.6
[M+H-H2O]+ 152.08239 127.2
[M+HCOO]- 214.08333 156.6
[M+CH3COO]- 228.09898 178.1
[M+Na-2H]- 190.05980 139.8
[M]+ 169.08458 138.2
[M]- 169.08568 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