CID 20829148

Ethanone, 1-(2,3-dimethylbicyclo(2.2.1)hept-2-yl)-

Structural Information

Molecular Formula
C11H18O
SMILES
CC1C2CCC(C2)C1(C)C(=O)C
InChI
InChI=1S/C11H18O/c1-7-9-4-5-10(6-9)11(7,3)8(2)12/h7,9-10H,4-6H2,1-3H3
InChIKey
CDNZIAMEVQBAJD-UHFFFAOYSA-N
Compound name
1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
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 140.3
[M+Na]+ 189.124988 148.2
[M-H]- 165.128494 143.4
[M+NH4]+ 184.169593 168.3
[M+K]+ 205.098928 146.1
[M+H-H2O]+ 149.133030 137.2
[M+HCOO]- 211.133971 160.2
[M+CH3COO]- 225.149621 181.4
[M+Na-2H]- 187.110436 142.3
[M]+ 166.13522142 139.8
[M]- 166.13631858 139.8
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