CID 15105155

(3ar,6ar)-octahydropentalene-3a-carbaldehyde

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC2CCCC2(C1)C=O
InChI
InChI=1S/C9H14O/c10-7-9-5-1-3-8(9)4-2-6-9/h7-8H,1-6H2
InChIKey
HJZNSVIKKJIXCR-UHFFFAOYSA-N
Compound name
2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

138.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 132.3
[M+Na]+ 161.093678 139.1
[M-H]- 137.097184 136.3
[M+NH4]+ 156.138283 160.1
[M+K]+ 177.067618 137.3
[M+H-H2O]+ 121.101720 128.1
[M+HCOO]- 183.102661 154.2
[M+CH3COO]- 197.118311 171.2
[M+Na-2H]- 159.079126 136.6
[M]+ 138.10391142 129.1
[M]- 138.10500858 129.1
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

patents stripe