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 166.1
[M+Na]+ 310.10836 175.4
[M+NH4]+ 305.15296 172.1
[M+K]+ 326.08230 168.6
[M-H]- 286.11186 166.3
[M+Na-2H]- 308.09381 169.5
[M]+ 287.11859 167.7
[M]- 287.11969 167.7
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.