CID 6492581

878717-42-1

Structural Information

Molecular Formula
C6H12N4
SMILES
CC1=NN(C(=N1)C)CCN
InChI
InChI=1S/C6H12N4/c1-5-8-6(2)10(9-5)4-3-7/h3-4,7H2,1-2H3
InChIKey
OIVJDIWINLEWFU-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.1062 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.113476 129.7
[M+Na]+ 163.095418 139.4
[M-H]- 139.098924 129.4
[M+NH4]+ 158.140023 149.2
[M+K]+ 179.069358 137.8
[M+H-H2O]+ 123.103460 122.1
[M+HCOO]- 185.104401 152.4
[M+CH3COO]- 199.120051 177.0
[M+Na-2H]- 161.080866 134.9
[M]+ 140.10565142 129.8
[M]- 140.10674858 129.8
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

patents stripe