CID 68176294

1380786-07-1

Structural Information

Molecular Formula
C6H12N4
SMILES
CC(C)(C)N1C=NC(=N1)N
InChI
InChI=1S/C6H12N4/c1-6(2,3)10-4-8-5(7)9-10/h4H,1-3H3,(H2,7,9)
InChIKey
BGISKSHLHYGZFQ-UHFFFAOYSA-N
Compound name
1-tert-butyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

140.1062 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.113476 131.1
[M+Na]+ 163.095418 140.4
[M-H]- 139.098924 130.9
[M+NH4]+ 158.140023 150.5
[M+K]+ 179.069358 139.2
[M+H-H2O]+ 123.103460 124.0
[M+HCOO]- 185.104401 152.2
[M+CH3COO]- 199.120051 175.5
[M+Na-2H]- 161.080866 137.6
[M]+ 140.10565142 130.2
[M]- 140.10674858 130.2
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