CID 13482996

1823038-30-7

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CC2COCCC2CC1C=O
InChI
InChI=1S/C10H16O2/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h6,8-10H,1-5,7H2
InChIKey
WGJLNJYLCFSLRF-UHFFFAOYSA-N
Compound name
3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.2
[M+Na]+ 191.10426 139.7
[M-H]- 167.10776 139.1
[M+NH4]+ 186.14886 155.1
[M+K]+ 207.07820 139.2
[M+H-H2O]+ 151.11230 129.5
[M+HCOO]- 213.11324 151.8
[M+CH3COO]- 227.12889 177.9
[M+Na-2H]- 189.08971 141.4
[M]+ 168.11449 130.2
[M]- 168.11559 130.2
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.