CID 115415

Usaf a-12638

Structural Information

Molecular Formula
C12H19NOS
SMILES
CC(CN(C)C)SC1=CC=CC(=C1)OC
InChI
InChI=1S/C12H19NOS/c1-10(9-13(2)3)15-12-7-5-6-11(8-12)14-4/h5-8,10H,9H2,1-4H3
InChIKey
QCUHZWIWJZXFJZ-UHFFFAOYSA-N
Compound name
2-(3-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 151.2
[M+Na]+ 248.10795 157.3
[M-H]- 224.11145 156.2
[M+NH4]+ 243.15255 170.6
[M+K]+ 264.08189 156.0
[M+H-H2O]+ 208.11599 144.4
[M+HCOO]- 270.11693 170.1
[M+CH3COO]- 284.13258 196.5
[M+Na-2H]- 246.09340 152.4
[M]+ 225.11818 156.1
[M]- 225.11928 156.1
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.