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

14
Patents

245.12633 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 153.3
[M+Na]+ 268.115548 158.8
[M-H]- 244.119054 154.5
[M+NH4]+ 263.160153 169.4
[M+K]+ 284.089488 160.4
[M+H-H2O]+ 228.123590 148.5
[M+HCOO]- 290.124531 167.2
[M+CH3COO]- 304.140181 188.1
[M+Na-2H]- 266.100996 157.7
[M]+ 245.12578142 153.8
[M]- 245.12687858 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