CID 1512537

783350-37-8

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)O
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey
KVXXEKIGMOEPSA-ZETCQYMHSA-N
Compound name
(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1176
Patents

231.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 150.3
[M+Na]+ 254.09989 155.2
[M-H]- 230.10339 151.3
[M+NH4]+ 249.14449 164.8
[M+K]+ 270.07383 156.6
[M+H-H2O]+ 214.10793 144.4
[M+HCOO]- 276.10887 164.5
[M+CH3COO]- 290.12452 185.5
[M+Na-2H]- 252.08534 153.6
[M]+ 231.11012 149.9
[M]- 231.11122 149.9
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