CID 45096397

Ns00116839

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(C)[C@@]12C[C@@H]1[C@@](C(=O)C2)(C)O
InChI
InChI=1S/C10H16O2/c1-6(2)10-4-7(10)9(3,12)8(11)5-10/h6-7,12H,4-5H2,1-3H3/t7-,9-,10+/m1/s1
InChIKey
QCIUNUUHBWFYTD-QNSHHTMESA-N
Compound name
(1S,4R,5S)-4-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 136.4
[M+Na]+ 191.10426 147.2
[M-H]- 167.10776 141.2
[M+NH4]+ 186.14886 158.4
[M+K]+ 207.07820 145.1
[M+H-H2O]+ 151.11230 134.3
[M+HCOO]- 213.11324 155.4
[M+CH3COO]- 227.12889 181.6
[M+Na-2H]- 189.08971 141.4
[M]+ 168.11449 139.8
[M]- 168.11559 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.