CID 50987516

3-(1h-1,2,4-triazol-1-yl)butan-2-amine

Structural Information

Molecular Formula
C6H12N4
SMILES
CC(C(C)N1C=NC=N1)N
InChI
InChI=1S/C6H12N4/c1-5(7)6(2)10-4-8-3-9-10/h3-6H,7H2,1-2H3
InChIKey
YYLBLMYFEQNWIL-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-1-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.1062 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.11348 129.4
[M+Na]+ 163.09542 138.9
[M+NH4]+ 158.14002 136.3
[M+K]+ 179.06936 136.9
[M-H]- 139.09892 129.0
[M+Na-2H]- 161.08087 134.2
[M]+ 140.10565 130.2
[M]- 140.10675 130.2
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.