CID 53487192

(r)-2,4,6-trimethylbenzenesulfinamide

Structural Information

Molecular Formula
C9H13NOS
SMILES
CC1=CC(=C(C(=C1)C)[S@@](=O)N)C
InChI
InChI=1S/C9H13NOS/c1-6-4-7(2)9(12(10)11)8(3)5-6/h4-5H,10H2,1-3H3/t12-/m1/s1
InChIKey
TYGCVPMEMBXPSM-GFCCVEGCSA-N
Compound name
(R)-2,4,6-trimethylbenzenesulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

183.0718 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.079076 136.3
[M+Na]+ 206.061018 145.6
[M-H]- 182.064524 140.5
[M+NH4]+ 201.105623 157.0
[M+K]+ 222.034958 142.6
[M+H-H2O]+ 166.069060 130.9
[M+HCOO]- 228.070001 155.1
[M+CH3COO]- 242.085651 184.8
[M+Na-2H]- 204.046466 137.3
[M]+ 183.07125142 137.8
[M]- 183.07234858 137.8
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