CID 165727781

1719-08-0

Structural Information

Molecular Formula
C10H14O3
SMILES
COC(=O)C[C@@H]1C[C@H]2C[C@@H]1C(=O)C2
InChI
InChI=1S/C10H14O3/c1-13-10(12)5-7-2-6-3-8(7)9(11)4-6/h6-8H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKey
UVMWSVVWBSMFTD-FXQIFTODSA-N
Compound name
methyl 2-[(1S,2S,4S)-6-oxo-2-bicyclo[2.2.1]heptanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 141.2
[M+Na]+ 205.08352 148.7
[M-H]- 181.08702 144.1
[M+NH4]+ 200.12812 166.4
[M+K]+ 221.05746 147.4
[M+H-H2O]+ 165.09156 137.4
[M+HCOO]- 227.09250 162.1
[M+CH3COO]- 241.10815 181.3
[M+Na-2H]- 203.06897 142.8
[M]+ 182.09375 142.2
[M]- 182.09485 142.2
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

No patent data available for this compound.