CID 131090579

1-methoxy-3,3-dimethylcyclopentane-1-carbaldehyde

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(CCC(C1)(C=O)OC)C
InChI
InChI=1S/C9H16O2/c1-8(2)4-5-9(6-8,7-10)11-3/h7H,4-6H2,1-3H3
InChIKey
DCHUFLNPPKJYBB-UHFFFAOYSA-N
Compound name
1-methoxy-3,3-dimethylcyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 131.5
[M+Na]+ 179.10426 139.8
[M-H]- 155.10776 135.4
[M+NH4]+ 174.14886 158.4
[M+K]+ 195.07820 139.3
[M+H-H2O]+ 139.11230 128.4
[M+HCOO]- 201.11324 154.5
[M+CH3COO]- 215.12889 175.8
[M+Na-2H]- 177.08971 137.5
[M]+ 156.11449 132.5
[M]- 156.11559 132.5
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.