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]+ 157.122316 131.5
[M+Na]+ 179.104258 139.8
[M-H]- 155.107764 135.4
[M+NH4]+ 174.148863 158.4
[M+K]+ 195.078198 139.3
[M+H-H2O]+ 139.112300 128.4
[M+HCOO]- 201.113241 154.5
[M+CH3COO]- 215.128891 175.8
[M+Na-2H]- 177.089706 137.5
[M]+ 156.11449142 132.5
[M]- 156.11558858 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.