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

17
Patents

140.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 132.5
[M+Na]+ 163.109338 138.5
[M-H]- 139.112844 135.5
[M+NH4]+ 158.153943 155.8
[M+K]+ 179.083278 137.6
[M+H-H2O]+ 123.117380 128.0
[M+HCOO]- 185.118321 153.6
[M+CH3COO]- 199.133971 173.7
[M+Na-2H]- 161.094786 137.1
[M]+ 140.11957142 130.5
[M]- 140.12066858 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