CID 204293

16048-32-1

Structural Information

Molecular Formula
C18H31N
SMILES
CCCCCCCCC1=CC=C(C=C1)CC(C)NC
InChI
InChI=1S/C18H31N/c1-4-5-6-7-8-9-10-17-11-13-18(14-12-17)15-16(2)19-3/h11-14,16,19H,4-10,15H2,1-3H3
InChIKey
KTCBWCSKNVRDIB-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-octylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.24564 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.25292 169.3
[M+Na]+ 284.23486 180.2
[M+NH4]+ 279.27946 177.4
[M+K]+ 300.20880 171.3
[M-H]- 260.23836 172.5
[M+Na-2H]- 282.22031 174.8
[M]+ 261.24509 171.7
[M]- 261.24619 171.7
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.