CID 139598117

C19-sas

Structural Information

Molecular Formula
C19H40O3S
SMILES
CCCCCCCCCCC(CCCCCCCC)S(=O)(=O)O
InChI
InChI=1S/C19H40O3S/c1-3-5-7-9-11-12-14-16-18-19(23(20,21)22)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,20,21,22)
InChIKey
YXWDSEJGFLEXSH-UHFFFAOYSA-N
Compound name
nonadecane-9-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2698 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.27708 191.3
[M+Na]+ 371.25902 192.9
[M-H]- 347.26252 187.9
[M+NH4]+ 366.30362 204.4
[M+K]+ 387.23296 188.3
[M+H-H2O]+ 331.26706 184.5
[M+HCOO]- 393.26800 202.4
[M+CH3COO]- 407.28365 212.6
[M+Na-2H]- 369.24447 187.7
[M]+ 348.26925 199.3
[M]- 348.27035 199.3
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.