CID 121552734

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

Structural Information

Molecular Formula
C10H17N3O3
SMILES
CC(C)(C)OC(=O)CN1C=C(N=N1)CCO
InChI
InChI=1S/C10H17N3O3/c1-10(2,3)16-9(15)7-13-6-8(4-5-14)11-12-13/h6,14H,4-5,7H2,1-3H3
InChIKey
OWKHTMBSAGQLDT-UHFFFAOYSA-N
Compound name
tert-butyl 2-[4-(2-hydroxyethyl)triazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.127 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13428 153.2
[M+Na]+ 250.11622 161.0
[M-H]- 226.11972 151.7
[M+NH4]+ 245.16082 168.7
[M+K]+ 266.09016 159.8
[M+H-H2O]+ 210.12426 145.9
[M+HCOO]- 272.12520 171.0
[M+CH3COO]- 286.14085 186.2
[M+Na-2H]- 248.10167 156.9
[M]+ 227.12645 156.5
[M]- 227.12755 156.5
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.