CID 115419

Usaf a-12637

Structural Information

Molecular Formula
C11H16ClNS
SMILES
CC(CN(C)C)SC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H16ClNS/c1-9(8-13(2)3)14-11-6-4-10(12)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey
NSHLGGRCBLJEHW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfanyl-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0692 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07648 150.3
[M+Na]+ 252.05842 162.9
[M+NH4]+ 247.10302 160.3
[M+K]+ 268.03236 153.4
[M-H]- 228.06192 154.2
[M+Na-2H]- 250.04387 157.1
[M]+ 229.06865 154.1
[M]- 229.06975 154.1
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.