CID 44150562

94200-91-6

Structural Information

Molecular Formula
C15H26O2
SMILES
CCC(C)(C)C1CCC2(CC1)CC(C(=O)O2)C
InChI
InChI=1S/C15H26O2/c1-5-14(3,4)12-6-8-15(9-7-12)10-11(2)13(16)17-15/h11-12H,5-10H2,1-4H3
InChIKey
SOKIHGCFUGVTCI-UHFFFAOYSA-N
Compound name
3-methyl-8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 157.2
[M+Na]+ 261.182498 162.4
[M-H]- 237.186004 162.6
[M+NH4]+ 256.227103 178.0
[M+K]+ 277.156438 161.3
[M+H-H2O]+ 221.190540 152.8
[M+HCOO]- 283.191481 172.8
[M+CH3COO]- 297.207131 192.5
[M+Na-2H]- 259.167946 159.8
[M]+ 238.19273142 154.4
[M]- 238.19382858 154.4
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.