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 137.4
[M+Na]+ 189.11106 148.8
[M+NH4]+ 184.15566 145.0
[M+K]+ 205.08500 146.6
[M-H]- 165.11456 145.2
[M+Na-2H]- 187.09651 145.3
[M]+ 166.12129 142.0
[M]- 166.12239 142.0
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.