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]+ 183.13796 141.1
[M+Na]+ 205.11990 149.0
[M-H]- 181.12340 145.3
[M+NH4]+ 200.16450 162.3
[M+K]+ 221.09384 147.9
[M+H-H2O]+ 165.12794 136.6
[M+HCOO]- 227.12888 162.7
[M+CH3COO]- 241.14453 183.3
[M+Na-2H]- 203.10535 143.2
[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

patents stripe