CID 46941640

1311315-75-9

Structural Information

Molecular Formula
C8H14N4
SMILES
C1CC1C2=NNC(=N2)CCCN
InChI
InChI=1S/C8H14N4/c9-5-1-2-7-10-8(12-11-7)6-3-4-6/h6H,1-5,9H2,(H,10,11,12)
InChIKey
BYVMDDKNSVCZEG-UHFFFAOYSA-N
Compound name
3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12184 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.129116 141.2
[M+Na]+ 189.111058 150.8
[M-H]- 165.114564 143.0
[M+NH4]+ 184.155663 153.7
[M+K]+ 205.084998 145.6
[M+H-H2O]+ 149.119100 132.8
[M+HCOO]- 211.120041 162.4
[M+CH3COO]- 225.135691 181.3
[M+Na-2H]- 187.096506 145.6
[M]+ 166.12129142 140.9
[M]- 166.12238858 140.9
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.