CID 103544

N-propylamphetamine

Structural Information

Molecular Formula
C12H19N
SMILES
CCCNC(C)CC1=CC=CC=C1
InChI
InChI=1S/C12H19N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKey
SNPGTHLGFHVIDA-UHFFFAOYSA-N
Compound name
1-phenyl-N-propylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

138
Patents

177.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.5
[M+Na]+ 200.14097 154.3
[M+NH4]+ 195.18557 151.7
[M+K]+ 216.11491 146.6
[M-H]- 176.14447 145.9
[M+Na-2H]- 198.12642 149.8
[M]+ 177.15120 145.1
[M]- 177.15230 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe