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]+ 167.12912 141.2
[M+Na]+ 189.11106 150.8
[M-H]- 165.11456 143.0
[M+NH4]+ 184.15566 153.7
[M+K]+ 205.08500 145.6
[M+H-H2O]+ 149.11910 132.8
[M+HCOO]- 211.12004 162.4
[M+CH3COO]- 225.13569 181.3
[M+Na-2H]- 187.09651 145.6
[M]+ 166.12129 140.9
[M]- 166.12239 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.