CID 80698520

3,3-dimethylcyclopentane-1-carbaldehyde

Structural Information

Molecular Formula
C8H14O
SMILES
CC1(CCC(C1)C=O)C
InChI
InChI=1S/C8H14O/c1-8(2)4-3-7(5-8)6-9/h6-7H,3-5H2,1-2H3
InChIKey
AVOPMXMZEVBLIV-UHFFFAOYSA-N
Compound name
3,3-dimethylcyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

126.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 125.8
[M+Na]+ 149.09368 133.6
[M-H]- 125.09718 129.5
[M+NH4]+ 144.13828 152.0
[M+K]+ 165.06762 132.8
[M+H-H2O]+ 109.10172 122.1
[M+HCOO]- 171.10266 148.9
[M+CH3COO]- 185.11831 171.0
[M+Na-2H]- 147.07913 130.9
[M]+ 126.10391 124.5
[M]- 126.10501 124.5
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