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

180
Patents

154.06299 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 148.2
[M+Na]+ 177.052208 152.3
[M-H]- 153.055714 151.7
[M+NH4]+ 172.096813 155.0
[M+K]+ 193.026148 158.5
[M+H-H2O]+ 137.060250 136.1
[M+HCOO]- 199.061191 161.5
[M+CH3COO]- 213.076841 205.0
[M+Na-2H]- 175.037656 154.8
[M]+ 154.06244142 174.5
[M]- 154.06353858 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