CID 2757991

5-cyclohexyl-o-anisidine

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

COC1=C(C=C(C=C1)C2CCCCC2)N

InChI

InChI=1S/C13H19NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h7-10H,2-6,14H2,1H3

InChIKey

ZGCZLEYNQKVVMJ-UHFFFAOYSA-N

Compound name

5-cyclohexyl-2-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 205.14667 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.15395	147.1
[M+Na]+	228.13589	152.0
[M-H]-	204.13939	152.7
[M+NH4]+	223.18049	165.4
[M+K]+	244.10983	149.1
[M+H-H2O]+	188.14393	140.0
[M+HCOO]-	250.14487	168.1
[M+CH3COO]-	264.16052	188.5
[M+Na-2H]-	226.12134	150.6
[M]+	205.14612	142.0
[M]-	205.14722	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe