CID 27225

M-anisidine, 4-((5-cyclohexylpentyl)oxy)-

Structural Information

Molecular Formula
C18H29NO2
SMILES
COC1=C(C=CC(=C1)N)OCCCCCC2CCCCC2
InChI
InChI=1S/C18H29NO2/c1-20-18-14-16(19)11-12-17(18)21-13-7-3-6-10-15-8-4-2-5-9-15/h11-12,14-15H,2-10,13,19H2,1H3
InChIKey
XJHYVNVVBMFVES-UHFFFAOYSA-N
Compound name
4-(5-cyclohexylpentoxy)-3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.227096 172.7
[M+Na]+ 314.209038 175.3
[M-H]- 290.212544 177.2
[M+NH4]+ 309.253643 187.4
[M+K]+ 330.182978 171.8
[M+H-H2O]+ 274.217080 164.2
[M+HCOO]- 336.218021 192.2
[M+CH3COO]- 350.233671 205.7
[M+Na-2H]- 312.194486 173.5
[M]+ 291.21927142 170.8
[M]- 291.22036858 170.8
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.