CID 170917392

Tert-butyl 3-(hydroxymethyl)oxetane-3-carboxylate

Structural Information

Molecular Formula
C9H16O4
SMILES
CC(C)(C)OC(=O)C1(COC1)CO
InChI
InChI=1S/C9H16O4/c1-8(2,3)13-7(11)9(4-10)5-12-6-9/h10H,4-6H2,1-3H3
InChIKey
QTZLYXATCSMJSH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)oxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.10486 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 139.7
[M+Na]+ 211.09408 144.6
[M-H]- 187.09758 142.6
[M+NH4]+ 206.13868 153.0
[M+K]+ 227.06802 149.0
[M+H-H2O]+ 171.10212 131.3
[M+HCOO]- 233.10306 157.0
[M+CH3COO]- 247.11871 181.5
[M+Na-2H]- 209.07953 146.4
[M]+ 188.10431 150.6
[M]- 188.10541 150.6
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

No patent data available for this compound.