CID 208308

31969-71-8

Structural Information

Molecular Formula
C13H22O4
SMILES
CC1C2CCC(C1C3OCCO3)C2(OC)OC
InChI
InChI=1S/C13H22O4/c1-8-9-4-5-10(13(9,14-2)15-3)11(8)12-16-6-7-17-12/h8-12H,4-7H2,1-3H3
InChIKey
HJOWLXCSSWVZFQ-UHFFFAOYSA-N
Compound name
2-(7,7-dimethoxy-3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.15181 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.15909 154.4
[M+Na]+ 265.14103 161.3
[M-H]- 241.14453 161.6
[M+NH4]+ 260.18563 178.2
[M+K]+ 281.11497 162.2
[M+H-H2O]+ 225.14907 152.4
[M+HCOO]- 287.15001 172.6
[M+CH3COO]- 301.16566 191.8
[M+Na-2H]- 263.12648 155.9
[M]+ 242.15126 157.5
[M]- 242.15236 157.5
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