CID 57202125

3-(cyclopentyloxy)propanal

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CCC(C1)OCCC=O
InChI
InChI=1S/C8H14O2/c9-6-3-7-10-8-4-1-2-5-8/h6,8H,1-5,7H2
InChIKey
NWSNCUXTRHLVRO-UHFFFAOYSA-N
Compound name
3-cyclopentyloxypropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

142.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.8
[M+Na]+ 165.08860 141.2
[M+NH4]+ 160.13320 140.3
[M+K]+ 181.06254 136.8
[M-H]- 141.09210 132.7
[M+Na-2H]- 163.07405 136.0
[M]+ 142.09883 133.1
[M]- 142.09993 133.1
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