CID 113826

63732-14-9

Structural Information

Molecular Formula
C14H19NS2
SMILES
CC(CC(C1=CC=CS1)C2=CC=CS2)N(C)C
InChI
InChI=1S/C14H19NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-9,11-12H,10H2,1-3H3
InChIKey
UKBUHLOZAKTYMX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4,4-dithiophen-2-ylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0959 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10318 163.9
[M+Na]+ 288.08512 171.6
[M-H]- 264.08862 172.6
[M+NH4]+ 283.12972 185.3
[M+K]+ 304.05906 168.7
[M+H-H2O]+ 248.09316 157.6
[M+HCOO]- 310.09410 179.8
[M+CH3COO]- 324.10975 200.3
[M+Na-2H]- 286.07057 160.4
[M]+ 265.09535 169.2
[M]- 265.09645 169.2
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.