CID 115417

Usaf a-12618

Structural Information

Molecular Formula
C12H19NOS
SMILES
CC(CN(C)C)SC1=CC=CC=C1OC
InChI
InChI=1S/C12H19NOS/c1-10(9-13(2)3)15-12-8-6-5-7-11(12)14-4/h5-8,10H,9H2,1-4H3
InChIKey
KCMZGTSICFCVFU-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)sulfanyl-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11873 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12601 151.3
[M+Na]+ 248.10795 162.5
[M+NH4]+ 243.15255 160.4
[M+K]+ 264.08189 154.2
[M-H]- 224.11145 154.7
[M+Na-2H]- 246.09340 157.5
[M]+ 225.11818 154.4
[M]- 225.11928 154.4
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

No patent data available for this compound.