CID 10796998

180464-87-3

Structural Information

Molecular Formula
C8H12O3
SMILES
COC(=O)C12CC(C1)(C2)CO
InChI
InChI=1S/C8H12O3/c1-11-6(10)8-2-7(3-8,4-8)5-9/h9H,2-5H2,1H3
InChIKey
BYTLJVZXUYVJKN-UHFFFAOYSA-N
Compound name
methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

156.07864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 151.9
[M+Na]+ 179.06786 155.4
[M-H]- 155.07136 154.2
[M+NH4]+ 174.11246 158.1
[M+K]+ 195.04180 161.4
[M+H-H2O]+ 139.07590 139.7
[M+HCOO]- 201.07684 163.8
[M+CH3COO]- 215.09249 203.7
[M+Na-2H]- 177.05331 157.9
[M]+ 156.07809 177.3
[M]- 156.07919 177.3
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