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 130.5
[M+Na]+ 163.09542 137.8
[M-H]- 139.09892 129.8
[M+NH4]+ 158.14002 149.2
[M+K]+ 179.06936 137.2
[M+H-H2O]+ 123.10346 122.4
[M+HCOO]- 185.10440 151.3
[M+CH3COO]- 199.12005 176.5
[M+Na-2H]- 161.08087 134.8
[M]+ 140.10565 128.5
[M]- 140.10675 128.5
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.