CID 45092397

160416-01-3

Structural Information

Molecular Formula
C7H12N4O2
SMILES
CC(C)(C)OC(=O)NC1=NC=NN1
InChI
InChI=1S/C7H12N4O2/c1-7(2,3)13-6(12)10-5-8-4-9-11-5/h4H,1-3H3,(H2,8,9,10,11,12)
InChIKey
LHQJBBNTZMXPIC-UHFFFAOYSA-N
Compound name
tert-butyl N-(1H-1,2,4-triazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

184.09602 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.103296 141.2
[M+Na]+ 207.085238 148.5
[M-H]- 183.088744 139.8
[M+NH4]+ 202.129843 157.8
[M+K]+ 223.059178 147.5
[M+H-H2O]+ 167.093280 133.7
[M+HCOO]- 229.094221 160.8
[M+CH3COO]- 243.109871 178.2
[M+Na-2H]- 205.070686 147.4
[M]+ 184.09547142 140.6
[M]- 184.09656858 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

No literature data available for this compound.

Patent stripe

patents stripe