CID 10668

Dimethylthiambutene

Structural Information

Molecular Formula
C14H17NS2
SMILES
CC(C=C(C1=CC=CS1)C2=CC=CS2)N(C)C
InChI
InChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3
InChIKey
CANBGVXYBPOLRR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

7121
Patents

263.08023 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08751 160.0
[M+Na]+ 286.06945 169.7
[M+NH4]+ 281.11405 169.7
[M+K]+ 302.04339 162.8
[M-H]- 262.07295 164.7
[M+Na-2H]- 284.05490 166.1
[M]+ 263.07968 163.6
[M]- 263.08078 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe