CID 85346

4-octylaniline

Structural Information

Molecular Formula
C14H23N
SMILES
CCCCCCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
InChIKey
ORKQJTBYQZITLA-UHFFFAOYSA-N
Compound name
4-octylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1370
Patents

205.18304 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 151.0
[M+Na]+ 228.17226 156.4
[M-H]- 204.17576 153.4
[M+NH4]+ 223.21686 169.9
[M+K]+ 244.14620 152.9
[M+H-H2O]+ 188.18030 144.5
[M+HCOO]- 250.18124 174.4
[M+CH3COO]- 264.19689 191.8
[M+Na-2H]- 226.15771 155.1
[M]+ 205.18249 151.4
[M]- 205.18359 151.4
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.