CID 189789

73413-79-3

Structural Information

Molecular Formula
C10H14O5S
SMILES
CC1([C@@H]2CC[C@]1(C(=O)C2=O)CS(=O)(=O)O)C
InChI
InChI=1S/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)/t6-,10-/m1/s1
InChIKey
VQHWAOZYKVGMQX-LHLIQPBNSA-N
Compound name
[(1S,4S)-7,7-dimethyl-2,3-dioxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

246.0562 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06348 150.8
[M+Na]+ 269.04542 161.3
[M-H]- 245.04892 153.1
[M+NH4]+ 264.09002 177.4
[M+K]+ 285.01936 158.8
[M+H-H2O]+ 229.05346 150.7
[M+HCOO]- 291.05440 165.1
[M+CH3COO]- 305.07005 185.9
[M+Na-2H]- 267.03087 155.5
[M]+ 246.05565 156.1
[M]- 246.05675 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.