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]+ 155.12912 135.6
[M+Na]+ 177.11106 144.5
[M-H]- 153.11456 135.3
[M+NH4]+ 172.15566 154.5
[M+K]+ 193.08500 143.0
[M+H-H2O]+ 137.11910 128.4
[M+HCOO]- 199.12004 156.5
[M+CH3COO]- 213.13569 178.6
[M+Na-2H]- 175.09651 141.7
[M]+ 154.12129 135.1
[M]- 154.12239 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.