CID 22914149

Einecs 272-323-7

Structural Information

Molecular Formula
C11H18O
SMILES
CC1CCC2C(C1C=O)C2(C)C
InChI
InChI=1S/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h6-10H,4-5H2,1-3H3
InChIKey
WUFJEAHVTVBYPF-UHFFFAOYSA-N
Compound name
3,7,7-trimethylbicyclo[4.1.0]heptane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

166.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 138.1
[M+Na]+ 189.12499 148.3
[M-H]- 165.12849 143.8
[M+NH4]+ 184.16959 157.5
[M+K]+ 205.09893 146.0
[M+H-H2O]+ 149.13303 133.7
[M+HCOO]- 211.13397 157.5
[M+CH3COO]- 225.14962 185.9
[M+Na-2H]- 187.11044 143.3
[M]+ 166.13522 140.5
[M]- 166.13632 140.5
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