CID 14729906

2-propyl-1,7-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula
C12H22O2
SMILES
CCCC1CCCC2(O1)CCCCO2
InChI
InChI=1S/C12H22O2/c1-2-6-11-7-5-9-12(14-11)8-3-4-10-13-12/h11H,2-10H2,1H3
InChIKey
YXQHYQQMZIVOTI-UHFFFAOYSA-N
Compound name
2-propyl-1,7-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

198.16199 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 146.8
[M+Na]+ 221.15121 149.8
[M-H]- 197.15471 152.1
[M+NH4]+ 216.19581 165.2
[M+K]+ 237.12515 150.8
[M+H-H2O]+ 181.15925 140.5
[M+HCOO]- 243.16019 161.7
[M+CH3COO]- 257.17584 182.2
[M+Na-2H]- 219.13666 153.2
[M]+ 198.16144 141.6
[M]- 198.16254 141.6
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