CID 169501835

Dehydrated 67m-2

Structural Information

Molecular Formula
C16H24N2O3S
SMILES
CC1C(SC(N1)C2CCC(C(C2)C#N)OC=C(C)C)C(=O)O
InChI
InChI=1S/C16H24N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h8,10-15,18H,4-6H2,1-3H3,(H,19,20)
InChIKey
AQYRSWZDKKAABZ-UHFFFAOYSA-N
Compound name
2-[3-cyano-4-(2-methylprop-1-enoxy)cyclohexyl]-4-methyl-1,3-thiazolidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.15076 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15804 170.6
[M+Na]+ 347.13998 176.7
[M+NH4]+ 342.18458 172.9
[M+K]+ 363.11392 169.9
[M-H]- 323.14348 163.3
[M+Na-2H]- 345.12543 168.4
[M]+ 324.15021 168.4
[M]- 324.15131 168.4
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.