CID 177799552

3-(2-{[(tert-butoxy)carbonyl]amino}ethyl)oxetane-3-carboxylic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NCCC1(COC1)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-4-11(8(13)14)6-16-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
PJCWJTJDRWMFPD-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 157.6
[M+Na]+ 268.115548 160.2
[M-H]- 244.119054 159.8
[M+NH4]+ 263.160153 167.8
[M+K]+ 284.089488 164.9
[M+H-H2O]+ 228.123590 147.7
[M+HCOO]- 290.124531 174.3
[M+CH3COO]- 304.140181 193.7
[M+Na-2H]- 266.100996 162.0
[M]+ 245.12578142 168.2
[M]- 245.12687858 168.2
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.