CID 2735056

138249-07-7

Structural Information

Molecular Formula
C11H14O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C=C)O
InChI
InChI=1S/C11H14O4S/c1-3-10(12)8-15-16(13,14)11-6-4-9(2)5-7-11/h3-7,10,12H,1,8H2,2H3/t10-/m1/s1
InChIKey
YQSCDBZHHLIPOI-SNVBAGLBSA-N
Compound name
[(2R)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

242.06128 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06856 151.1
[M+Na]+ 265.05050 158.7
[M-H]- 241.05400 153.6
[M+NH4]+ 260.09510 168.4
[M+K]+ 281.02444 155.5
[M+H-H2O]+ 225.05854 145.5
[M+HCOO]- 287.05948 167.0
[M+CH3COO]- 301.07513 186.5
[M+Na-2H]- 263.03595 153.7
[M]+ 242.06073 154.9
[M]- 242.06183 154.9
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