CID 163546

2'-methylspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxane]

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1OCC2(CC3CCC2C3)CO1
InChI
InChI=1S/C11H18O2/c1-8-12-6-11(7-13-8)5-9-2-3-10(11)4-9/h8-10H,2-7H2,1H3
InChIKey
HSNHBDAGWWAPOE-UHFFFAOYSA-N
Compound name
2-methylspiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

182.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 140.0
[M+Na]+ 205.11990 146.2
[M-H]- 181.12340 145.6
[M+NH4]+ 200.16450 164.6
[M+K]+ 221.09384 146.1
[M+H-H2O]+ 165.12794 136.4
[M+HCOO]- 227.12888 156.3
[M+CH3COO]- 241.14453 153.1
[M+Na-2H]- 203.10535 144.9
[M]+ 182.13013 137.1
[M]- 182.13123 137.1
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