CID 112756369

(1-tert-butyl-1h-1,2,4-triazol-5-yl)methanamine

Structural Information

Molecular Formula
C7H14N4
SMILES
CC(C)(C)N1C(=NC=N1)CN
InChI
InChI=1S/C7H14N4/c1-7(2,3)11-6(4-8)9-5-10-11/h5H,4,8H2,1-3H3
InChIKey
XBDAQUIRZHEBOJ-UHFFFAOYSA-N
Compound name
(2-tert-butyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12184 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.129116 135.6
[M+Na]+ 177.111058 144.5
[M-H]- 153.114564 135.3
[M+NH4]+ 172.155663 154.5
[M+K]+ 193.084998 143.0
[M+H-H2O]+ 137.119100 128.4
[M+HCOO]- 199.120041 156.5
[M+CH3COO]- 213.135691 178.6
[M+Na-2H]- 175.096506 141.7
[M]+ 154.12129142 135.1
[M]- 154.12238858 135.1
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.