CID 204292

16048-31-0

Structural Information

Molecular Formula
C16H27N
SMILES
CCCCCCC1=CC=C(C=C1)CC(C)NC
InChI
InChI=1S/C16H27N/c1-4-5-6-7-8-15-9-11-16(12-10-15)13-14(2)17-3/h9-12,14,17H,4-8,13H2,1-3H3
InChIKey
PTSXBOYVFGGPPX-UHFFFAOYSA-N
Compound name
1-(4-hexylphenyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.21436 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 160.2
[M+Na]+ 256.20358 171.6
[M+NH4]+ 251.24818 168.7
[M+K]+ 272.17752 163.1
[M-H]- 232.20708 163.5
[M+Na-2H]- 254.18903 166.3
[M]+ 233.21381 162.8
[M]- 233.21491 162.8
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.