CID 54275008

54131-39-4

Structural Information

Molecular Formula
C11H18O
SMILES
CC(=O)C12CCC(C1(C)C)CC2
InChI
InChI=1S/C11H18O/c1-8(12)11-6-4-9(5-7-11)10(11,2)3/h9H,4-7H2,1-3H3
InChIKey
RMUQOFAOACJUPJ-UHFFFAOYSA-N
Compound name
1-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 140.2
[M+Na]+ 189.12499 148.2
[M-H]- 165.12849 143.3
[M+NH4]+ 184.16959 169.9
[M+K]+ 205.09893 146.0
[M+H-H2O]+ 149.13303 137.4
[M+HCOO]- 211.13397 160.1
[M+CH3COO]- 225.14962 180.1
[M+Na-2H]- 187.11044 143.9
[M]+ 166.13522 139.7
[M]- 166.13632 139.7
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.