CID 60122

M-anisidine, 4-((5-(methylsulfonyl)pentyl)oxy)-

Structural Information

Molecular Formula
C13H21NO4S
SMILES
COC1=C(C=CC(=C1)N)OCCCCCS(=O)(=O)C
InChI
InChI=1S/C13H21NO4S/c1-17-13-10-11(14)6-7-12(13)18-8-4-3-5-9-19(2,15)16/h6-7,10H,3-5,8-9,14H2,1-2H3
InChIKey
BBQNVRCHDIRPNJ-UHFFFAOYSA-N
Compound name
3-methoxy-4-(5-methylsulfonylpentoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12642 164.7
[M+Na]+ 310.10836 171.7
[M-H]- 286.11186 167.7
[M+NH4]+ 305.15296 180.6
[M+K]+ 326.08230 168.5
[M+H-H2O]+ 270.11640 157.9
[M+HCOO]- 332.11734 182.6
[M+CH3COO]- 346.13299 200.7
[M+Na-2H]- 308.09381 166.7
[M]+ 287.11859 170.9
[M]- 287.11969 170.9
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

No patent data available for this compound.