CID 133667479

N-(thiolan-3-yl)hexa-2,4-dienamide

Structural Information

Molecular Formula
C10H15NOS
SMILES
C/C=C/C=C/C(=O)NC1CCSC1
InChI
InChI=1S/C10H15NOS/c1-2-3-4-5-10(12)11-9-6-7-13-8-9/h2-5,9H,6-8H2,1H3,(H,11,12)/b3-2+,5-4+
InChIKey
JCSGENGJABCPRV-MQQKCMAXSA-N
Compound name
(2E,4E)-N-(thiolan-3-yl)hexa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.094706 147.4
[M+Na]+ 220.076648 152.5
[M-H]- 196.080154 150.2
[M+NH4]+ 215.121253 168.6
[M+K]+ 236.050588 149.2
[M+H-H2O]+ 180.084690 141.6
[M+HCOO]- 242.085631 164.9
[M+CH3COO]- 256.101281 182.0
[M+Na-2H]- 218.062096 146.6
[M]+ 197.08688142 145.5
[M]- 197.08797858 145.5
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.