CID 12153283

[(4-methanesulfinylphenyl)methyl](methyl)amine

Structural Information

Molecular Formula
C9H13NOS
SMILES
CNCC1=CC=C(C=C1)S(=O)C
InChI
InChI=1S/C9H13NOS/c1-10-7-8-3-5-9(6-4-8)12(2)11/h3-6,10H,7H2,1-2H3
InChIKey
ILRUWCDVYZQVNX-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-methylsulfinylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

183.0718 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07908 137.0
[M+Na]+ 206.06102 144.5
[M-H]- 182.06452 141.0
[M+NH4]+ 201.10562 157.3
[M+K]+ 222.03496 141.8
[M+H-H2O]+ 166.06906 131.0
[M+HCOO]- 228.07000 156.5
[M+CH3COO]- 242.08565 183.1
[M+Na-2H]- 204.04647 140.3
[M]+ 183.07125 138.7
[M]- 183.07235 138.7
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