CID 12610335

Methyl (1r,2r)-2-(hydroxymethyl)cyclobutane-1-carboxylate

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)[C@@H]1CC[C@H]1CO
InChI
InChI=1S/C7H12O3/c1-10-7(9)6-3-2-5(6)4-8/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
HVAGTCIDQYNDNN-NTSWFWBYSA-N
Compound name
cis-methyl (1R,2R)-2-(hydroxymethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

144.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 127.9
[M+Na]+ 167.06786 133.3
[M-H]- 143.07136 130.2
[M+NH4]+ 162.11246 142.3
[M+K]+ 183.04180 136.2
[M+H-H2O]+ 127.07590 118.1
[M+HCOO]- 189.07684 148.0
[M+CH3COO]- 203.09249 175.5
[M+Na-2H]- 165.05331 131.8
[M]+ 144.07809 136.6
[M]- 144.07919 136.6
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