CID 12271748

Methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

Structural Information

Molecular Formula
C8H10O3
SMILES
COC(=O)C1CC2C=CC1O2
InChI
InChI=1S/C8H10O3/c1-10-8(9)6-4-5-2-3-7(6)11-5/h2-3,5-7H,4H2,1H3
InChIKey
OZONFNLDQRXRGI-UHFFFAOYSA-N
Compound name
methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

154.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.7
[M+Na]+ 177.05221 139.0
[M-H]- 153.05571 134.6
[M+NH4]+ 172.09681 155.7
[M+K]+ 193.02615 139.6
[M+H-H2O]+ 137.06025 127.3
[M+HCOO]- 199.06119 152.7
[M+CH3COO]- 213.07684 174.6
[M+Na-2H]- 175.03766 135.9
[M]+ 154.06244 133.5
[M]- 154.06354 133.5
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