CID 22309142

4-[(tert-butoxy)carbonyl]-3-methylmorpholine-3-carboxylic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC1(COCCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-6-16-7-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKey
OWKAFGALKWOGOO-UHFFFAOYSA-N
Compound name
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 153.3
[M+Na]+ 268.11555 158.8
[M-H]- 244.11905 154.5
[M+NH4]+ 263.16015 169.4
[M+K]+ 284.08949 160.4
[M+H-H2O]+ 228.12359 148.5
[M+HCOO]- 290.12453 167.2
[M+CH3COO]- 304.14018 188.1
[M+Na-2H]- 266.10100 157.7
[M]+ 245.12578 153.8
[M]- 245.12688 153.8
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