CID 46294

P-isopropylbenzyloctylamine

Structural Information

Molecular Formula
C18H31N
SMILES
CCCCCCCCNCC1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C18H31N/c1-4-5-6-7-8-9-14-19-15-17-10-12-18(13-11-17)16(2)3/h10-13,16,19H,4-9,14-15H2,1-3H3
InChIKey
GFJYNQALVNKHCS-UHFFFAOYSA-N
Compound name
N-[(4-propan-2-ylphenyl)methyl]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.24564 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.252916 169.7
[M+Na]+ 284.234858 173.0
[M-H]- 260.238364 171.8
[M+NH4]+ 279.279463 186.4
[M+K]+ 300.208798 169.3
[M+H-H2O]+ 244.242900 162.3
[M+HCOO]- 306.243841 191.2
[M+CH3COO]- 320.259491 205.4
[M+Na-2H]- 282.220306 171.3
[M]+ 261.24509142 171.8
[M]- 261.24618858 171.8
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.