CID 13789151

2-(3-methylcyclopentyl)acetaldehyde

Structural Information

Molecular Formula
C8H14O
SMILES
CC1CCC(C1)CC=O
InChI
InChI=1S/C8H14O/c1-7-2-3-8(6-7)4-5-9/h5,7-8H,2-4,6H2,1H3
InChIKey
GVOLJUIKNSUFMB-UHFFFAOYSA-N
Compound name
2-(3-methylcyclopentyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

126.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 127.3
[M+Na]+ 149.09368 134.2
[M-H]- 125.09718 130.5
[M+NH4]+ 144.13828 151.3
[M+K]+ 165.06762 133.1
[M+H-H2O]+ 109.10172 122.5
[M+HCOO]- 171.10266 150.3
[M+CH3COO]- 185.11831 171.5
[M+Na-2H]- 147.07913 131.1
[M]+ 126.10391 125.7
[M]- 126.10501 125.7
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