CID 5112917

Schembl16015736

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(=O)OC1=CCC2CC1C2(C)C
InChI
InChI=1S/C11H16O2/c1-7(12)13-10-5-4-8-6-9(10)11(8,2)3/h5,8-9H,4,6H2,1-3H3
InChIKey
NDZMNXNMVVXBAF-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 150.7
[M+Na]+ 203.10426 156.9
[M-H]- 179.10776 150.5
[M+NH4]+ 198.14886 170.8
[M+K]+ 219.07820 158.4
[M+H-H2O]+ 163.11230 142.7
[M+HCOO]- 225.11324 164.5
[M+CH3COO]- 239.12889 190.6
[M+Na-2H]- 201.08971 159.3
[M]+ 180.11449 164.4
[M]- 180.11559 164.4
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