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]+ 165.12740 148.2
[M+Na]+ 187.10934 156.9
[M-H]- 163.11284 151.7
[M+NH4]+ 182.15394 165.9
[M+K]+ 203.08328 156.9
[M+H-H2O]+ 147.11738 140.1
[M+HCOO]- 209.11832 160.5
[M+CH3COO]- 223.13397 159.8
[M+Na-2H]- 185.09479 157.6
[M]+ 164.11957 161.3
[M]- 164.12067 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.