CID 9855656

(5e)-3,4-dimethyl-5-pentylidene-oxolan-2-one

Structural Information

Molecular Formula
C11H18O2
SMILES
CCCC/C=C/1\C(C(C(=O)O1)C)C
InChI
InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7-9H,4-6H2,1-3H3/b10-7+
InChIKey
GKHOOSNEXYJMQR-JXMROGBWSA-N
Compound name
(5E)-3,4-dimethyl-5-pentylideneoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

182.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 141.1
[M+Na]+ 205.119898 149.0
[M-H]- 181.123404 145.3
[M+NH4]+ 200.164503 162.3
[M+K]+ 221.093838 147.9
[M+H-H2O]+ 165.127940 136.6
[M+HCOO]- 227.128881 162.7
[M+CH3COO]- 241.144531 183.3
[M+Na-2H]- 203.105346 143.2
[M]+ 182.13013142 142.7
[M]- 182.13122858 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

patents stripe