CID 97707

2(3h)-furanone, dihydro-4-methyl-5-pentyl-

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCCCC1C(CC(=O)O1)C
InChI
InChI=1S/C10H18O2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3
InChIKey
LOQFOBUZYRBURV-UHFFFAOYSA-N
Compound name
4-methyl-5-pentyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

262
Patents

170.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 138.6
[M+Na]+ 193.119898 145.6
[M-H]- 169.123404 142.5
[M+NH4]+ 188.164503 160.0
[M+K]+ 209.093838 145.4
[M+H-H2O]+ 153.127940 133.8
[M+HCOO]- 215.128881 160.3
[M+CH3COO]- 229.144531 180.6
[M+Na-2H]- 191.105346 141.8
[M]+ 170.13013142 140.2
[M]- 170.13122858 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe