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

1378
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

literature stripe

Patent stripe

patents stripe