CID 57449959

2-cyclopentyl-2-methylpropanal

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C)(C=O)C1CCCC1
InChI
InChI=1S/C9H16O/c1-9(2,7-10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKey
GAEDQTPUGBNHBU-UHFFFAOYSA-N
Compound name
2-cyclopentyl-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

140.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 132.5
[M+Na]+ 163.10934 138.5
[M-H]- 139.11284 135.5
[M+NH4]+ 158.15394 155.8
[M+K]+ 179.08328 137.6
[M+H-H2O]+ 123.11738 128.0
[M+HCOO]- 185.11832 153.6
[M+CH3COO]- 199.13397 173.7
[M+Na-2H]- 161.09479 137.1
[M]+ 140.11957 130.5
[M]- 140.12067 130.5
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

patents stripe