CID 376101

Nsc656586

Structural Information

Molecular Formula
C14H24O2S
SMILES
CC(C)(C)S(=O)OC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H24O2S/c1-13(2,3)17(15)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,4-9H2,1-3H3
InChIKey
AMSIUHRGJNKJAR-UHFFFAOYSA-N
Compound name
1-adamantyl 2-methylpropane-2-sulfinate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1497 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15698 164.1
[M+Na]+ 279.13892 165.3
[M-H]- 255.14242 158.4
[M+NH4]+ 274.18352 188.3
[M+K]+ 295.11286 163.7
[M+H-H2O]+ 239.14696 159.6
[M+HCOO]- 301.14790 163.8
[M+CH3COO]- 315.16355 171.5
[M+Na-2H]- 277.12437 173.3
[M]+ 256.14915 168.3
[M]- 256.15025 168.3
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.