CID 137788

N-octylaniline

Structural Information

Molecular Formula
C14H23N
SMILES
CCCCCCCCNC1=CC=CC=C1
InChI
InChI=1S/C14H23N/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12,15H,2-6,10,13H2,1H3
InChIKey
GCULWAWIZUGXTO-UHFFFAOYSA-N
Compound name
N-octylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1339
Patents

205.18304 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.190316 150.7
[M+Na]+ 228.172258 155.1
[M-H]- 204.175764 153.2
[M+NH4]+ 223.216863 169.5
[M+K]+ 244.146198 151.9
[M+H-H2O]+ 188.180300 143.8
[M+HCOO]- 250.181241 174.7
[M+CH3COO]- 264.196891 191.4
[M+Na-2H]- 226.157706 156.6
[M]+ 205.18249142 151.7
[M]- 205.18358858 151.7
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