CID 62721602

2137766-72-2

Structural Information

Molecular Formula
C8H16N4
SMILES
CC(C)C1=NN(C(=N1)CCN)C
InChI
InChI=1S/C8H16N4/c1-6(2)8-10-7(4-5-9)12(3)11-8/h6H,4-5,9H2,1-3H3
InChIKey
UBFIVLQMRVLGBN-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1375 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.14478 139.2
[M+Na]+ 191.12672 147.9
[M-H]- 167.13022 138.8
[M+NH4]+ 186.17132 157.5
[M+K]+ 207.10066 146.2
[M+H-H2O]+ 151.13476 131.4
[M+HCOO]- 213.13570 160.3
[M+CH3COO]- 227.15135 183.9
[M+Na-2H]- 189.11217 142.2
[M]+ 168.13695 139.4
[M]- 168.13805 139.4
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.