CID 27215

M-anisidine, 4-(hexyloxy)-

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCCCCCOC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C13H21NO2/c1-3-4-5-6-9-16-12-8-7-11(14)10-13(12)15-2/h7-8,10H,3-6,9,14H2,1-2H3
InChIKey
NOGYCEDADJZXDS-UHFFFAOYSA-N
Compound name
4-hexoxy-3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 152.6
[M+Na]+ 246.146448 159.3
[M-H]- 222.149954 155.6
[M+NH4]+ 241.191053 170.9
[M+K]+ 262.120388 157.0
[M+H-H2O]+ 206.154490 146.0
[M+HCOO]- 268.155431 176.7
[M+CH3COO]- 282.171081 193.9
[M+Na-2H]- 244.131896 156.5
[M]+ 223.15668142 155.9
[M]- 223.15777858 155.9
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