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]+ 198.09471 147.4
[M+Na]+ 220.07665 152.5
[M-H]- 196.08015 150.2
[M+NH4]+ 215.12125 168.6
[M+K]+ 236.05059 149.2
[M+H-H2O]+ 180.08469 141.6
[M+HCOO]- 242.08563 164.9
[M+CH3COO]- 256.10128 182.0
[M+Na-2H]- 218.06210 146.6
[M]+ 197.08688 145.5
[M]- 197.08798 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.