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]+ 269.16081 165.1
[M+Na]+ 291.14275 170.6
[M-H]- 267.14625 165.2
[M+NH4]+ 286.18735 171.1
[M+K]+ 307.11669 171.9
[M+H-H2O]+ 251.15079 151.5
[M+HCOO]- 313.15173 178.9
[M+CH3COO]- 327.16738 196.9
[M+Na-2H]- 289.12820 166.1
[M]+ 268.15298 175.3
[M]- 268.15408 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.