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]+ 169.122316 135.2
[M+Na]+ 191.104258 139.7
[M-H]- 167.107764 139.1
[M+NH4]+ 186.148863 155.1
[M+K]+ 207.078198 139.2
[M+H-H2O]+ 151.112300 129.5
[M+HCOO]- 213.113241 151.8
[M+CH3COO]- 227.128891 177.9
[M+Na-2H]- 189.089706 141.4
[M]+ 168.11449142 130.2
[M]- 168.11558858 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.