CID 53438111

2-cyclohex-2-en-1-yl-4-methyl-2h-pyran

Structural Information

Molecular Formula
C12H16O
SMILES
CC1=CC(OC=C1)C2CCCC=C2
InChI
InChI=1S/C12H16O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h3,5,7-9,11-12H,2,4,6H2,1H3
InChIKey
ZMGWILBWVCWZRZ-UHFFFAOYSA-N
Compound name
2-cyclohex-2-en-1-yl-4-methyl-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 138.1
[M+Na]+ 199.109338 143.6
[M-H]- 175.112844 144.8
[M+NH4]+ 194.153943 156.7
[M+K]+ 215.083278 142.4
[M+H-H2O]+ 159.117380 131.5
[M+HCOO]- 221.118321 158.2
[M+CH3COO]- 235.133971 180.1
[M+Na-2H]- 197.094786 144.5
[M]+ 176.11957142 134.6
[M]- 176.12066858 134.6
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.