CID 57503120

3-cyclopentyl-2-methylpropanal

Structural Information

Molecular Formula
C9H16O
SMILES
CC(CC1CCCC1)C=O
InChI
InChI=1S/C9H16O/c1-8(7-10)6-9-4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKey
MZCNZXKQYGIDSN-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 133.5
[M+Na]+ 163.109338 138.7
[M-H]- 139.112844 136.2
[M+NH4]+ 158.153943 156.6
[M+K]+ 179.083278 137.9
[M+H-H2O]+ 123.117380 128.2
[M+HCOO]- 185.118321 155.2
[M+CH3COO]- 199.133971 174.3
[M+Na-2H]- 161.094786 136.0
[M]+ 140.11957142 131.2
[M]- 140.12066858 131.2
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