CID 11715266

2-methyl-n-[(1e)-2-methylpropylidene]propane-2-sulfinamide

Structural Information

Molecular Formula
C8H17NOS
SMILES
CC(C)/C=N/S(=O)C(C)(C)C
InChI
InChI=1S/C8H17NOS/c1-7(2)6-9-11(10)8(3,4)5/h6-7H,1-5H3/b9-6+
InChIKey
FUZSYHCWXNPGMV-RMKNXTFCSA-N
Compound name
(NE)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.10309 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.110366 139.3
[M+Na]+ 198.092308 145.8
[M-H]- 174.095814 141.2
[M+NH4]+ 193.136913 160.7
[M+K]+ 214.066248 145.3
[M+H-H2O]+ 158.100350 134.2
[M+HCOO]- 220.101291 156.4
[M+CH3COO]- 234.116941 185.3
[M+Na-2H]- 196.077756 141.0
[M]+ 175.10254142 142.6
[M]- 175.10363858 142.6
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

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