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]+ 153.12740 135.1
[M+Na]+ 175.10934 140.6
[M-H]- 151.11284 138.6
[M+NH4]+ 170.15394 160.6
[M+K]+ 191.08328 138.5
[M+H-H2O]+ 135.11738 130.3
[M+HCOO]- 197.11832 154.6
[M+CH3COO]- 211.13397 174.0
[M+Na-2H]- 173.09479 140.3
[M]+ 152.11957 130.0
[M]- 152.12067 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.