CID 23623672

Schembl3306646

Structural Information

Molecular Formula
C11H16O
SMILES
CC1=CCC2CC1(C2(C)C)C=O
InChI
InChI=1S/C11H16O/c1-8-4-5-9-6-11(8,7-12)10(9,2)3/h4,7,9H,5-6H2,1-3H3
InChIKey
ZQGDHCZINVFWIF-UHFFFAOYSA-N
Compound name
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

164.12012 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 147.9
[M+Na]+ 187.109338 155.8
[M-H]- 163.112844 148.3
[M+NH4]+ 182.153943 170.8
[M+K]+ 203.083278 155.8
[M+H-H2O]+ 147.117380 140.6
[M+HCOO]- 209.118321 162.6
[M+CH3COO]- 223.133971 188.2
[M+Na-2H]- 185.094786 158.5
[M]+ 164.11957142 161.3
[M]- 164.12066858 161.3
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