CID 22227

5524-05-0

Structural Information

Molecular Formula
C10H16O
SMILES
C[C@@H]1CC[C@H](CC1=O)C(=C)C
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
InChIKey
AZOCECCLWFDTAP-RKDXNWHRSA-N
Compound name
(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

41
References

2188
Patents

152.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 132.8
[M+Na]+ 175.10934 138.9
[M-H]- 151.11284 136.1
[M+NH4]+ 170.15394 154.2
[M+K]+ 191.08328 137.4
[M+H-H2O]+ 135.11738 128.0
[M+HCOO]- 197.11832 152.3
[M+CH3COO]- 211.13397 178.8
[M+Na-2H]- 173.09479 135.1
[M]+ 152.11957 129.0
[M]- 152.12067 129.0
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.