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 136.6
[M+Na]+ 191.10426 147.6
[M+NH4]+ 186.14886 146.3
[M+K]+ 207.07820 141.2
[M-H]- 167.10776 140.4
[M+Na-2H]- 189.08971 140.4
[M]+ 168.11449 139.1
[M]- 168.11559 139.1
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.