CID 89375

Einecs 243-992-2

Structural Information

Molecular Formula
C11H18O
SMILES
CC(CC1CC2CCC1C2)C=O
InChI
InChI=1S/C11H18O/c1-8(7-12)4-11-6-9-2-3-10(11)5-9/h7-11H,2-6H2,1H3
InChIKey
JZAUTFKKORTMPS-UHFFFAOYSA-N
Compound name
3-(2-bicyclo[2.2.1]heptanyl)-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
2
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 142.3
[M+Na]+ 189.12499 148.3
[M-H]- 165.12849 144.7
[M+NH4]+ 184.16959 168.0
[M+K]+ 205.09893 146.3
[M+H-H2O]+ 149.13303 138.0
[M+HCOO]- 211.13397 162.2
[M+CH3COO]- 225.14962 180.7
[M+Na-2H]- 187.11044 143.6
[M]+ 166.13522 141.2
[M]- 166.13632 141.2
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.