CID 121208612

Tert-butyl 3-((4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)methyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H20N4O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)CN2C=C(N=N2)CO
InChI
InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)15-4-9(5-15)6-16-7-10(8-17)13-14-16/h7,9,17H,4-6,8H2,1-3H3
InChIKey
QIVFQMLYUGDNCN-UHFFFAOYSA-N
Compound name
tert-butyl 3-[[4-(hydroxymethyl)triazol-1-yl]methyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15353 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.160806 165.1
[M+Na]+ 291.142748 170.6
[M-H]- 267.146254 165.2
[M+NH4]+ 286.187353 171.1
[M+K]+ 307.116688 171.9
[M+H-H2O]+ 251.150790 151.5
[M+HCOO]- 313.151731 178.9
[M+CH3COO]- 327.167381 196.9
[M+Na-2H]- 289.128196 166.1
[M]+ 268.15298142 175.3
[M]- 268.15407858 175.3
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.