CID 15646442

2-methanesulfonyl-2-methylpropanal

Structural Information

Molecular Formula
C5H10O3S
SMILES
CC(C)(C=O)S(=O)(=O)C
InChI
InChI=1S/C5H10O3S/c1-5(2,4-6)9(3,7)8/h4H,1-3H3
InChIKey
VQTVVYORTKZNLH-UHFFFAOYSA-N
Compound name
2-methyl-2-methylsulfonylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

150.03506 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04234 127.7
[M+Na]+ 173.02428 136.7
[M-H]- 149.02778 128.8
[M+NH4]+ 168.06888 149.6
[M+K]+ 188.99822 135.9
[M+H-H2O]+ 133.03232 124.0
[M+HCOO]- 195.03326 144.6
[M+CH3COO]- 209.04891 172.0
[M+Na-2H]- 171.00973 133.3
[M]+ 150.03451 131.9
[M]- 150.03561 131.9
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

patents stripe