CID 66600706

Schembl117491

Structural Information

Molecular Formula
C13H22O2
SMILES
CC1C=C(CCC12CCCOC2OC)C
InChI
InChI=1S/C13H22O2/c1-10-5-7-13(11(2)9-10)6-4-8-15-12(13)14-3/h9,11-12H,4-8H2,1-3H3
InChIKey
FGEXTGIAINVPIO-UHFFFAOYSA-N
Compound name
1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

210.16199 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 148.3
[M+Na]+ 233.15121 153.8
[M-H]- 209.15471 154.0
[M+NH4]+ 228.19581 168.3
[M+K]+ 249.12515 153.4
[M+H-H2O]+ 193.15925 142.3
[M+HCOO]- 255.16019 165.3
[M+CH3COO]- 269.17584 186.9
[M+Na-2H]- 231.13666 153.1
[M]+ 210.16144 145.2
[M]- 210.16254 145.2
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.