CID 51358232

4-(tert-butoxycarbonyl)-2-methylmorpholine-2-carboxylic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC1(CN(CCO1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-6-16-11(4,7-12)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKey
SQAMEQQMXRHVTC-UHFFFAOYSA-N
Compound name
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

245.12633 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 154.3
[M+Na]+ 268.11555 161.9
[M+NH4]+ 263.16015 160.3
[M+K]+ 284.08949 158.8
[M-H]- 244.11905 152.9
[M+Na-2H]- 266.10100 156.6
[M]+ 245.12578 154.7
[M]- 245.12688 154.7
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