CID 534051

Methyl bicyclo[4.1.0]heptane-7-carboxylate

Structural Information

Molecular Formula
C9H14O2
SMILES
COC(=O)C1C2C1CCCC2
InChI
InChI=1S/C9H14O2/c1-11-9(10)8-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChIKey
MSAQFZVACWBUBX-UHFFFAOYSA-N
Compound name
methyl bicyclo[4.1.0]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 133.9
[M+Na]+ 177.088598 142.3
[M-H]- 153.092104 139.0
[M+NH4]+ 172.133203 151.3
[M+K]+ 193.062538 140.5
[M+H-H2O]+ 137.096640 128.3
[M+HCOO]- 199.097581 153.7
[M+CH3COO]- 213.113231 180.4
[M+Na-2H]- 175.074046 139.3
[M]+ 154.09883142 135.3
[M]- 154.09992858 135.3
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