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 148.8
[M+Na]+ 252.05842 156.1
[M-H]- 228.06192 153.8
[M+NH4]+ 247.10302 168.9
[M+K]+ 268.03236 152.6
[M+H-H2O]+ 212.06646 143.3
[M+HCOO]- 274.06740 163.1
[M+CH3COO]- 288.08305 195.3
[M+Na-2H]- 250.04387 150.0
[M]+ 229.06865 153.8
[M]- 229.06975 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.