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]+ 262.25292 169.7
[M+Na]+ 284.23486 173.0
[M-H]- 260.23836 171.8
[M+NH4]+ 279.27946 186.4
[M+K]+ 300.20880 169.3
[M+H-H2O]+ 244.24290 162.3
[M+HCOO]- 306.24384 191.2
[M+CH3COO]- 320.25949 205.4
[M+Na-2H]- 282.22031 171.3
[M]+ 261.24509 171.8
[M]- 261.24619 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.