CID 20205961

2-cyclopentylpropanal

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C=O)C1CCCC1
InChI
InChI=1S/C8H14O/c1-7(6-9)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKey
QQOCJHKBZXOCAA-UHFFFAOYSA-N
Compound name
2-cyclopentylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

126.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 128.8
[M+Na]+ 149.093678 134.4
[M-H]- 125.097184 131.7
[M+NH4]+ 144.138283 152.4
[M+K]+ 165.067618 133.9
[M+H-H2O]+ 109.101720 123.7
[M+HCOO]- 171.102661 150.8
[M+CH3COO]- 185.118311 171.2
[M+Na-2H]- 147.079126 131.9
[M]+ 126.10391142 126.1
[M]- 126.10500858 126.1
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