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]+ 230.076476 148.8
[M+Na]+ 252.058418 156.1
[M-H]- 228.061924 153.8
[M+NH4]+ 247.103023 168.9
[M+K]+ 268.032358 152.6
[M+H-H2O]+ 212.066460 143.3
[M+HCOO]- 274.067401 163.1
[M+CH3COO]- 288.083051 195.3
[M+Na-2H]- 250.043866 150.0
[M]+ 229.06865142 153.8
[M]- 229.06974858 153.8
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

No patent data available for this compound.