CID 71758124

Tert-butyl n-(1h-1,2,3-triazol-4-yl)carbamate

Structural Information

Molecular Formula
C7H12N4O2
SMILES
CC(C)(C)OC(=O)NC1=NNN=C1
InChI
InChI=1S/C7H12N4O2/c1-7(2,3)13-6(12)9-5-4-8-11-10-5/h4H,1-3H3,(H2,8,9,10,11,12)
InChIKey
UUUQDHUJWVLANT-UHFFFAOYSA-N
Compound name
tert-butyl N-(2H-triazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.09602 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10330 141.2
[M+Na]+ 207.08524 148.5
[M-H]- 183.08874 139.8
[M+NH4]+ 202.12984 157.8
[M+K]+ 223.05918 147.5
[M+H-H2O]+ 167.09328 133.7
[M+HCOO]- 229.09422 160.8
[M+CH3COO]- 243.10987 178.2
[M+Na-2H]- 205.07069 147.4
[M]+ 184.09547 140.6
[M]- 184.09657 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe