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

214
Patents

156.07864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 151.9
[M+Na]+ 179.067858 155.4
[M-H]- 155.071364 154.2
[M+NH4]+ 174.112463 158.1
[M+K]+ 195.041798 161.4
[M+H-H2O]+ 139.075900 139.7
[M+HCOO]- 201.076841 163.8
[M+CH3COO]- 215.092491 203.7
[M+Na-2H]- 177.053306 157.9
[M]+ 156.07809142 177.3
[M]- 156.07918858 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