CID 13789151

2-(3-methylcyclopentyl)acetaldehyde

Structural Information

Molecular Formula
C8H14O
SMILES
CC1CCC(C1)CC=O
InChI
InChI=1S/C8H14O/c1-7-2-3-8(6-7)4-5-9/h5,7-8H,2-4,6H2,1H3
InChIKey
GVOLJUIKNSUFMB-UHFFFAOYSA-N
Compound name
2-(3-methylcyclopentyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

126.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 127.3
[M+Na]+ 149.093678 134.2
[M-H]- 125.097184 130.5
[M+NH4]+ 144.138283 151.3
[M+K]+ 165.067618 133.1
[M+H-H2O]+ 109.101720 122.5
[M+HCOO]- 171.102661 150.3
[M+CH3COO]- 185.118311 171.5
[M+Na-2H]- 147.079126 131.1
[M]+ 126.10391142 125.7
[M]- 126.10500858 125.7
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