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

31
Patents

183.0718 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07908 136.3
[M+Na]+ 206.06102 145.6
[M-H]- 182.06452 140.5
[M+NH4]+ 201.10562 157.0
[M+K]+ 222.03496 142.6
[M+H-H2O]+ 166.06906 130.9
[M+HCOO]- 228.07000 155.1
[M+CH3COO]- 242.08565 184.8
[M+Na-2H]- 204.04647 137.3
[M]+ 183.07125 137.8
[M]- 183.07235 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