CID 10534879

Methyl 3-formylbicyclo[1.1.1]pentane-1-carboxylate

Structural Information

Molecular Formula
C8H10O3
SMILES
COC(=O)C12CC(C1)(C2)C=O
InChI
InChI=1S/C8H10O3/c1-11-6(10)8-2-7(3-8,4-8)5-9/h5H,2-4H2,1H3
InChIKey
SWHCZCYZLWROJM-UHFFFAOYSA-N
Compound name
methyl 3-formylbicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

154.06299 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 148.2
[M+Na]+ 177.05221 152.3
[M-H]- 153.05571 151.7
[M+NH4]+ 172.09681 155.0
[M+K]+ 193.02615 158.5
[M+H-H2O]+ 137.06025 136.1
[M+HCOO]- 199.06119 161.5
[M+CH3COO]- 213.07684 205.0
[M+Na-2H]- 175.03766 154.8
[M]+ 154.06244 174.5
[M]- 154.06354 174.5
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