CID 261531

Methyl bicyclo[2.2.1]heptane-2-carboxylate

Structural Information

Molecular Formula
C9H14O2
SMILES
COC(=O)C1CC2CCC1C2
InChI
InChI=1S/C9H14O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKey
BWGIKEUGPCOETD-UHFFFAOYSA-N
Compound name
methyl bicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

154
Patents

154.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 133.8
[M+Na]+ 177.08860 141.9
[M+NH4]+ 172.13320 143.0
[M+K]+ 193.06254 140.3
[M-H]- 153.09210 133.6
[M+Na-2H]- 175.07405 134.8
[M]+ 154.09883 134.5
[M]- 154.09993 134.5
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