CID 105433236

6,6-dimethylspiro[2.5]octane-1-carbaldehyde

Structural Information

Molecular Formula
C11H18O
SMILES
CC1(CCC2(CC1)CC2C=O)C
InChI
InChI=1S/C11H18O/c1-10(2)3-5-11(6-4-10)7-9(11)8-12/h8-9H,3-7H2,1-2H3
InChIKey
ISAOCOLNWXYXMU-UHFFFAOYSA-N
Compound name
6,6-dimethylspiro[2.5]octane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 139.6
[M+Na]+ 189.12499 148.3
[M-H]- 165.12849 146.3
[M+NH4]+ 184.16959 159.6
[M+K]+ 205.09893 147.5
[M+H-H2O]+ 149.13303 135.3
[M+HCOO]- 211.13397 159.1
[M+CH3COO]- 225.14962 182.3
[M+Na-2H]- 187.11044 146.0
[M]+ 166.13522 139.8
[M]- 166.13632 139.8
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.