CID 103544

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
3
Annotation Hits

5
References

163
Patents

177.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 142.4
[M+Na]+ 200.140968 147.4
[M-H]- 176.144474 145.4
[M+NH4]+ 195.185573 162.2
[M+K]+ 216.114908 145.2
[M+H-H2O]+ 160.149010 136.0
[M+HCOO]- 222.149951 166.0
[M+CH3COO]- 236.165601 186.1
[M+Na-2H]- 198.126416 148.0
[M]+ 177.15120142 142.0
[M]- 177.15229858 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

literature stripe

Patent stripe

patents stripe