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]+ 169.144776 139.2
[M+Na]+ 191.126718 147.9
[M-H]- 167.130224 138.8
[M+NH4]+ 186.171323 157.5
[M+K]+ 207.100658 146.2
[M+H-H2O]+ 151.134760 131.4
[M+HCOO]- 213.135701 160.3
[M+CH3COO]- 227.151351 183.9
[M+Na-2H]- 189.112166 142.2
[M]+ 168.13695142 139.4
[M]- 168.13804858 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.