CID 63897003

Tert-butyl 1h-1,2,3-triazole-4-carboxylate

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC(C)(C)OC(=O)C1=NNN=C1
InChI
InChI=1S/C7H11N3O2/c1-7(2,3)12-6(11)5-4-8-10-9-5/h4H,1-3H3,(H,8,9,10)
InChIKey
IGFFWAHOJSQWEG-UHFFFAOYSA-N
Compound name
tert-butyl 2H-triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

169.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 137.2
[M+Na]+ 192.07435 145.5
[M-H]- 168.07785 135.8
[M+NH4]+ 187.11895 154.8
[M+K]+ 208.04829 144.5
[M+H-H2O]+ 152.08239 130.2
[M+HCOO]- 214.08333 155.8
[M+CH3COO]- 228.09898 173.9
[M+Na-2H]- 190.05980 143.0
[M]+ 169.08458 137.6
[M]- 169.08568 137.6
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

patents stripe