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
2
Annotation Hits

0
References

27
Patents

166.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 138.1
[M+Na]+ 189.124988 148.3
[M-H]- 165.128494 143.8
[M+NH4]+ 184.169593 157.5
[M+K]+ 205.098928 146.0
[M+H-H2O]+ 149.133030 133.7
[M+HCOO]- 211.133971 157.5
[M+CH3COO]- 225.149621 185.9
[M+Na-2H]- 187.110436 143.3
[M]+ 166.13522142 140.5
[M]- 166.13631858 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