CID 138236

N,n-dihexylaniline

Structural Information

Molecular Formula
C18H31N
SMILES
CCCCCCN(CCCCCC)C1=CC=CC=C1
InChI
InChI=1S/C18H31N/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKey
DGYRVXQIGUEFFK-UHFFFAOYSA-N
Compound name
N,N-dihexylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2356
Patents

261.24564 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.252916 169.8
[M+Na]+ 284.234858 172.6
[M-H]- 260.238364 173.0
[M+NH4]+ 279.279463 186.9
[M+K]+ 300.208798 169.8
[M+H-H2O]+ 244.242900 161.8
[M+HCOO]- 306.243841 192.8
[M+CH3COO]- 320.259491 207.0
[M+Na-2H]- 282.220306 172.6
[M]+ 261.24509142 173.5
[M]- 261.24618858 173.5
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