CID 16645

Diisopropyl sulfoxide

Structural Information

Molecular Formula
C6H14OS
SMILES
CC(C)S(=O)C(C)C
InChI
InChI=1S/C6H14OS/c1-5(2)8(7)6(3)4/h5-6H,1-4H3
InChIKey
WFJXYIUAMJAURQ-UHFFFAOYSA-N
Compound name
2-propan-2-ylsulfinylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1261
Patents

134.07654 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08382 127.2
[M+Na]+ 157.06576 133.9
[M-H]- 133.06926 128.0
[M+NH4]+ 152.11036 149.7
[M+K]+ 173.03970 133.9
[M+H-H2O]+ 117.07380 122.7
[M+HCOO]- 179.07474 142.8
[M+CH3COO]- 193.09039 174.9
[M+Na-2H]- 155.05121 127.2
[M]+ 134.07599 129.4
[M]- 134.07709 129.4
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