CID 44153942

94481-70-6

Structural Information

Molecular Formula
C11H16O
SMILES
CC1=CC2C(C2(C)C)CC1C=O
InChI
InChI=1S/C11H16O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h4,6,8-10H,5H2,1-3H3
InChIKey
MEJAQLNAKXUXHT-UHFFFAOYSA-N
Compound name
4,7,7-trimethylbicyclo[4.1.0]hept-4-ene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 136.2
[M+Na]+ 187.109338 147.4
[M-H]- 163.112844 142.3
[M+NH4]+ 182.153943 155.8
[M+K]+ 203.083278 144.9
[M+H-H2O]+ 147.117380 131.8
[M+HCOO]- 209.118321 157.1
[M+CH3COO]- 223.133971 185.5
[M+Na-2H]- 185.094786 142.4
[M]+ 164.11957142 140.0
[M]- 164.12066858 140.0
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.