CID 6434752

Usaf a-4720

Structural Information

Molecular Formula
C11H15NS
SMILES
CN(C)C/C=C/SC1=CC=CC=C1
InChI
InChI=1S/C11H15NS/c1-12(2)9-6-10-13-11-7-4-3-5-8-11/h3-8,10H,9H2,1-2H3/b10-6+
InChIKey
MUWIULGHAOVBOB-UXBLZVDNSA-N
Compound name
(E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09251 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09979 142.3
[M+Na]+ 216.08173 148.8
[M-H]- 192.08523 147.1
[M+NH4]+ 211.12633 162.8
[M+K]+ 232.05567 146.1
[M+H-H2O]+ 176.08977 135.7
[M+HCOO]- 238.09071 162.5
[M+CH3COO]- 252.10636 188.0
[M+Na-2H]- 214.06718 145.7
[M]+ 193.09196 144.8
[M]- 193.09306 144.8
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.