CID 377299

Nsc658701

Structural Information

Molecular Formula
C11H20O3
SMILES
CC1CCC(C(=O)C1)(C(C)(C)OC)O
InChI
InChI=1S/C11H20O3/c1-8-5-6-11(13,9(12)7-8)10(2,3)14-4/h8,13H,5-7H2,1-4H3
InChIKey
BHLUHWXCQDNTHP-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-methoxypropan-2-yl)-5-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.14125 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 144.4
[M+Na]+ 223.130468 150.9
[M-H]- 199.133974 146.5
[M+NH4]+ 218.175073 165.4
[M+K]+ 239.104408 150.0
[M+H-H2O]+ 183.138510 140.7
[M+HCOO]- 245.139451 161.7
[M+CH3COO]- 259.155101 183.3
[M+Na-2H]- 221.115916 149.1
[M]+ 200.14070142 143.3
[M]- 200.14179858 143.3
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.