CID 80166483

1515222-51-1

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1(CCCO1)C(=O)CCCC=C
InChI
InChI=1S/C11H18O2/c1-3-4-5-7-10(12)11(2)8-6-9-13-11/h3H,1,4-9H2,2H3
InChIKey
UZDIVOGKCIPVCN-UHFFFAOYSA-N
Compound name
1-(2-methyloxolan-2-yl)hex-5-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 142.6
[M+Na]+ 205.11990 148.2
[M-H]- 181.12340 146.0
[M+NH4]+ 200.16450 164.7
[M+K]+ 221.09384 147.8
[M+H-H2O]+ 165.12794 138.1
[M+HCOO]- 227.12888 163.2
[M+CH3COO]- 241.14453 180.8
[M+Na-2H]- 203.10535 146.5
[M]+ 182.13013 142.7
[M]- 182.13123 142.7
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.