CID 80494983

2375259-02-0

Structural Information

Molecular Formula
C6H12N4
SMILES
CC(C)C(C1=NNN=C1)N
InChI
InChI=1S/C6H12N4/c1-4(2)6(7)5-3-8-10-9-5/h3-4,6H,7H2,1-2H3,(H,8,9,10)
InChIKey
LNIXWHZGFOEORC-UHFFFAOYSA-N
Compound name
2-methyl-1-(2H-triazol-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.1062 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.113476 131.2
[M+Na]+ 163.095418 138.0
[M-H]- 139.098924 129.1
[M+NH4]+ 158.140023 149.2
[M+K]+ 179.069358 136.6
[M+H-H2O]+ 123.103460 123.4
[M+HCOO]- 185.104401 150.5
[M+CH3COO]- 199.120051 173.9
[M+Na-2H]- 161.080866 135.0
[M]+ 140.10565142 127.4
[M]- 140.10674858 127.4
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

patents stripe