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

138
Patents

126.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 128.8
[M+Na]+ 149.09368 134.4
[M-H]- 125.09718 131.7
[M+NH4]+ 144.13828 152.4
[M+K]+ 165.06762 133.9
[M+H-H2O]+ 109.10172 123.7
[M+HCOO]- 171.10266 150.8
[M+CH3COO]- 185.11831 171.2
[M+Na-2H]- 147.07913 131.9
[M]+ 126.10391 126.1
[M]- 126.10501 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