CID 13468509

1932245-16-3

Structural Information

Molecular Formula
C11H16O
SMILES
CC1([C@@H]2C[C@H]1C3(CC3)C(=O)C2)C
InChI
InChI=1S/C11H16O/c1-10(2)7-5-8(10)11(3-4-11)9(12)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
DWGXQWXPVHNLHF-HTQZYQBOSA-N
Compound name
(1R,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 148.2
[M+Na]+ 187.109338 156.9
[M-H]- 163.112844 151.7
[M+NH4]+ 182.153943 165.9
[M+K]+ 203.083278 156.9
[M+H-H2O]+ 147.117380 140.1
[M+HCOO]- 209.118321 160.5
[M+CH3COO]- 223.133971 159.8
[M+Na-2H]- 185.094786 157.6
[M]+ 164.11957142 161.3
[M]- 164.12066858 161.3
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.