CID 167742628

Octahydro-1h-indene-3a-carbaldehyde

Structural Information

Molecular Formula
C10H16O
SMILES
C1CCC2(CCCC2C1)C=O
InChI
InChI=1S/C10H16O/c11-8-10-6-2-1-4-9(10)5-3-7-10/h8-9H,1-7H2
InChIKey
ZQNKAKFAUATUTP-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,7a-octahydroindene-3a-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 135.1
[M+Na]+ 175.109338 140.6
[M-H]- 151.112844 138.6
[M+NH4]+ 170.153943 160.6
[M+K]+ 191.083278 138.5
[M+H-H2O]+ 135.117380 130.3
[M+HCOO]- 197.118321 154.6
[M+CH3COO]- 211.133971 174.0
[M+Na-2H]- 173.094786 140.3
[M]+ 152.11957142 130.0
[M]- 152.12066858 130.0
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.