CID 27221

M-anisidine, 4-((1-methylheptyl)oxy)-, hydrochloride

Structural Information

Molecular Formula
C15H25NO2
SMILES
CCCCCCC(C)OC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C15H25NO2/c1-4-5-6-7-8-12(2)18-14-10-9-13(16)11-15(14)17-3/h9-12H,4-8,16H2,1-3H3
InChIKey
PUYPFNHNXZSDGA-UHFFFAOYSA-N
Compound name
3-methoxy-4-octan-2-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.18852 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 162.5
[M+Na]+ 274.17774 168.0
[M-H]- 250.18124 165.2
[M+NH4]+ 269.22234 179.6
[M+K]+ 290.15168 165.8
[M+H-H2O]+ 234.18578 155.5
[M+HCOO]- 296.18672 184.9
[M+CH3COO]- 310.20237 200.8
[M+Na-2H]- 272.16319 164.0
[M]+ 251.18797 165.9
[M]- 251.18907 165.9
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