CID 15527499

N-decyl-4-methoxyaniline

Structural Information

Molecular Formula
C17H29NO
SMILES
CCCCCCCCCCNC1=CC=C(C=C1)OC
InChI
InChI=1S/C17H29NO/c1-3-4-5-6-7-8-9-10-15-18-16-11-13-17(19-2)14-12-16/h11-14,18H,3-10,15H2,1-2H3
InChIKey
JJBKULCJBJQXRA-UHFFFAOYSA-N
Compound name
N-decyl-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

263.2249 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.232176 167.5
[M+Na]+ 286.214118 171.5
[M-H]- 262.217624 169.8
[M+NH4]+ 281.258723 184.2
[M+K]+ 302.188058 168.1
[M+H-H2O]+ 246.222160 160.0
[M+HCOO]- 308.223101 190.7
[M+CH3COO]- 322.238751 203.5
[M+Na-2H]- 284.199566 171.0
[M]+ 263.22435142 171.4
[M]- 263.22544858 171.4
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

patents stripe