CID 110727

2,5-norbornanediol, diacetate

Structural Information

Molecular Formula
C11H16O4
SMILES
CC(=O)OC1CC2CC1CC2OC(=O)C
InChI
InChI=1S/C11H16O4/c1-6(12)14-10-4-9-3-8(10)5-11(9)15-7(2)13/h8-11H,3-5H2,1-2H3
InChIKey
UFWLNVAHXNWALF-UHFFFAOYSA-N
Compound name
(5-acetyloxy-2-bicyclo[2.2.1]heptanyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 149.1
[M+Na]+ 235.09408 155.8
[M-H]- 211.09758 151.9
[M+NH4]+ 230.13868 173.0
[M+K]+ 251.06802 155.3
[M+H-H2O]+ 195.10212 145.3
[M+HCOO]- 257.10306 168.8
[M+CH3COO]- 271.11871 186.6
[M+Na-2H]- 233.07953 149.1
[M]+ 212.10431 151.3
[M]- 212.10541 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe