CID 71756732

Methyl 2-[4-(2-hydroxyethyl)-1h-1,2,3-triazol-1-yl]acetate

Structural Information

Molecular Formula
C7H11N3O3
SMILES
COC(=O)CN1C=C(N=N1)CCO
InChI
InChI=1S/C7H11N3O3/c1-13-7(12)5-10-4-6(2-3-11)8-9-10/h4,11H,2-3,5H2,1H3
InChIKey
CVWNVAUOPWCYSN-UHFFFAOYSA-N
Compound name
methyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08005 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08733 138.4
[M+Na]+ 208.06927 147.0
[M-H]- 184.07277 136.9
[M+NH4]+ 203.11387 155.3
[M+K]+ 224.04321 146.0
[M+H-H2O]+ 168.07731 130.7
[M+HCOO]- 230.07825 158.7
[M+CH3COO]- 244.09390 177.5
[M+Na-2H]- 206.05472 142.7
[M]+ 185.07950 141.1
[M]- 185.08060 141.1
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

No patent data available for this compound.