CID 84107424

3-cyclopentyl-2,2-dimethylpropanal

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)(CC1CCCC1)C=O
InChI
InChI=1S/C10H18O/c1-10(2,8-11)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKey
ATIGXLUCAIDRLN-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 137.1
[M+Na]+ 177.124988 142.7
[M-H]- 153.128494 140.0
[M+NH4]+ 172.169593 159.9
[M+K]+ 193.098928 141.6
[M+H-H2O]+ 137.133030 132.4
[M+HCOO]- 199.133971 158.0
[M+CH3COO]- 213.149621 176.8
[M+Na-2H]- 175.110436 141.3
[M]+ 154.13522142 135.5
[M]- 154.13631858 135.5
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

No patent data available for this compound.