CID 53484289

2-(3-{[(tert-butoxy)carbonyl]amino}oxetan-3-yl)acetic acid

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)NC1(COC1)CC(=O)O
InChI
InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(4-7(12)13)5-15-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
LOZJYPJBCJFSBL-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.11067 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.117946 153.0
[M+Na]+ 254.099888 155.9
[M-H]- 230.103394 155.3
[M+NH4]+ 249.144493 163.7
[M+K]+ 270.073828 160.9
[M+H-H2O]+ 214.107930 143.2
[M+HCOO]- 276.108871 170.0
[M+CH3COO]- 290.124521 190.8
[M+Na-2H]- 252.085336 157.8
[M]+ 231.11012142 163.2
[M]- 231.11121858 163.2
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.