CID 139595212

Sta-4c

Structural Information

Molecular Formula
C15H20O5S
SMILES
CC1CCC(C2=C1C=C(C=C2)S(=O)(=O)O)CCCC(=O)O
InChI
InChI=1S/C15H20O5S/c1-10-5-6-11(3-2-4-15(16)17)13-8-7-12(9-14(10)13)21(18,19)20/h7-11H,2-6H2,1H3,(H,16,17)(H,18,19,20)
InChIKey
HFAMWNAXSCOTRZ-UHFFFAOYSA-N
Compound name
4-(4-methyl-6-sulfo-1,2,3,4-tetrahydronaphthalen-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.10315 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11043 168.0
[M+Na]+ 335.09237 174.0
[M-H]- 311.09587 169.1
[M+NH4]+ 330.13697 182.8
[M+K]+ 351.06631 170.0
[M+H-H2O]+ 295.10041 162.6
[M+HCOO]- 357.10135 178.2
[M+CH3COO]- 371.11700 199.3
[M+Na-2H]- 333.07782 169.4
[M]+ 312.10260 169.9
[M]- 312.10370 169.9
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.