CID 71756059

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

Structural Information

Molecular Formula
C9H15N3O3
SMILES
CC(C)(C)OC(=O)CN1C=C(N=N1)CO
InChI
InChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)5-12-4-7(6-13)10-11-12/h4,13H,5-6H2,1-3H3
InChIKey
ZIKQEFBJVMVLHP-UHFFFAOYSA-N
Compound name
tert-butyl 2-[4-(hydroxymethyl)triazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11134 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.118616 148.7
[M+Na]+ 236.100558 156.9
[M-H]- 212.104064 147.3
[M+NH4]+ 231.145163 164.7
[M+K]+ 252.074498 155.9
[M+H-H2O]+ 196.108600 141.5
[M+HCOO]- 258.109541 166.8
[M+CH3COO]- 272.125191 183.2
[M+Na-2H]- 234.086006 152.8
[M]+ 213.11079142 151.6
[M]- 213.11188858 151.6
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.