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]+ 214.11862 148.7
[M+Na]+ 236.10056 156.9
[M-H]- 212.10406 147.3
[M+NH4]+ 231.14516 164.7
[M+K]+ 252.07450 155.9
[M+H-H2O]+ 196.10860 141.5
[M+HCOO]- 258.10954 166.8
[M+CH3COO]- 272.12519 183.2
[M+Na-2H]- 234.08601 152.8
[M]+ 213.11079 151.6
[M]- 213.11189 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.