CID 65289

43219-68-7

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CCC(CC1)(C)C(=O)C
InChI
InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3
InChIKey
BIUSXTISNNLMOR-UHFFFAOYSA-N
Compound name
1-(1,4-dimethylcyclohex-3-en-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

71
Patents

152.12012 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 132.4
[M+Na]+ 175.10934 139.2
[M-H]- 151.11284 136.1
[M+NH4]+ 170.15394 155.8
[M+K]+ 191.08328 138.3
[M+H-H2O]+ 135.11738 128.1
[M+HCOO]- 197.11832 153.2
[M+CH3COO]- 211.13397 177.8
[M+Na-2H]- 173.09479 137.5
[M]+ 152.11957 130.6
[M]- 152.12067 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe