CID 92309

4-decylaniline

Structural Information

Molecular Formula
C16H27N
SMILES
CCCCCCCCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
InChIKey
WGENWPANMZLPIH-UHFFFAOYSA-N
Compound name
4-decylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

687
Patents

233.21436 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 160.2
[M+Na]+ 256.20358 164.7
[M-H]- 232.20708 162.2
[M+NH4]+ 251.24818 177.8
[M+K]+ 272.17752 160.6
[M+H-H2O]+ 216.21162 153.1
[M+HCOO]- 278.21256 182.8
[M+CH3COO]- 292.22821 197.9
[M+Na-2H]- 254.18903 163.1
[M]+ 233.21381 161.2
[M]- 233.21491 161.2
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