CID 56592969

3-(boc-amino)oxetane-3-carboxylic acid

Structural Information

Molecular Formula
C9H15NO5
SMILES
CC(C)(C)OC(=O)NC1(COC1)C(=O)O
InChI
InChI=1S/C9H15NO5/c1-8(2,3)15-7(13)10-9(6(11)12)4-14-5-9/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
IIINBAWOESLQTR-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

217.09502 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.102296 148.3
[M+Na]+ 240.084238 151.7
[M-H]- 216.087744 150.8
[M+NH4]+ 235.128843 159.5
[M+K]+ 256.058178 156.8
[M+H-H2O]+ 200.092280 138.7
[M+HCOO]- 262.093221 165.6
[M+CH3COO]- 276.108871 187.9
[M+Na-2H]- 238.069686 153.6
[M]+ 217.09447142 158.1
[M]- 217.09556858 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe