CID 57686691

Methyl 2-(3-hydroxycyclobutyl)acetate

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)CC1CC(C1)O
InChI
InChI=1S/C7H12O3/c1-10-7(9)4-5-2-6(8)3-5/h5-6,8H,2-4H2,1H3
InChIKey
XMAIKRHUQZOPSW-UHFFFAOYSA-N
Compound name
methyl 2-(3-hydroxycyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

144.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 127.9
[M+Na]+ 167.067858 133.3
[M-H]- 143.071364 130.2
[M+NH4]+ 162.112463 142.3
[M+K]+ 183.041798 136.2
[M+H-H2O]+ 127.075900 118.1
[M+HCOO]- 189.076841 148.0
[M+CH3COO]- 203.092491 175.5
[M+Na-2H]- 165.053306 131.8
[M]+ 144.07809142 136.6
[M]- 144.07918858 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