CID 104605457

3-[(tert-butylamino)methyl]-1-methyl-1h-1,2,4-triazol-5-amine dihydrochloride

Structural Information

Molecular Formula
C8H17N5
SMILES
CC(C)(C)NCC1=NN(C(=N1)N)C
InChI
InChI=1S/C8H17N5/c1-8(2,3)10-5-6-11-7(9)13(4)12-6/h10H,5H2,1-4H3,(H2,9,11,12)
InChIKey
YVWZLPVRKCUORX-UHFFFAOYSA-N
Compound name
5-[(tert-butylamino)methyl]-2-methyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.14839 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.15567 144.0
[M+Na]+ 206.13761 152.5
[M-H]- 182.14111 144.0
[M+NH4]+ 201.18221 161.6
[M+K]+ 222.11155 150.7
[M+H-H2O]+ 166.14565 136.4
[M+HCOO]- 228.14659 165.6
[M+CH3COO]- 242.16224 187.7
[M+Na-2H]- 204.12306 149.3
[M]+ 183.14784 143.5
[M]- 183.14894 143.5
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.