CID 5470327

Nsc699720

Structural Information

Molecular Formula
C15H24O2S
SMILES
CCOC(=O)/C=C\1/C2(S1)C(CCCC2(C)C)(C)C
InChI
InChI=1S/C15H24O2S/c1-6-17-12(16)10-11-15(18-11)13(2,3)8-7-9-14(15,4)5/h10H,6-9H2,1-5H3/b11-10-
InChIKey
JBULTLRGFCRACB-KHPPLWFESA-N
Compound name
ethyl (2Z)-2-(4,4,8,8-tetramethyl-1-thiaspiro[2.5]octan-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1497 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15698 157.7
[M+Na]+ 291.13892 165.6
[M-H]- 267.14242 163.7
[M+NH4]+ 286.18352 176.1
[M+K]+ 307.11286 164.7
[M+H-H2O]+ 251.14696 154.7
[M+HCOO]- 313.14790 169.6
[M+CH3COO]- 327.16355 198.9
[M+Na-2H]- 289.12437 160.2
[M]+ 268.14915 162.7
[M]- 268.15025 162.7
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.