CID 78070589

2-(2,2-dimethylcyclopentyl)acetaldehyde

Structural Information

Molecular Formula
C9H16O
SMILES
CC1(CCCC1CC=O)C
InChI
InChI=1S/C9H16O/c1-9(2)6-3-4-8(9)5-7-10/h7-8H,3-6H2,1-2H3
InChIKey
QMOYEGLOBHGUNG-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylcyclopentyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 130.4
[M+Na]+ 163.10934 137.9
[M-H]- 139.11284 134.0
[M+NH4]+ 158.15394 156.0
[M+K]+ 179.08328 136.7
[M+H-H2O]+ 123.11738 126.5
[M+HCOO]- 185.11832 153.2
[M+CH3COO]- 199.13397 174.1
[M+Na-2H]- 161.09479 135.0
[M]+ 140.11957 129.5
[M]- 140.12067 129.5
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