CID 71742810

1416445-02-7

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC1(CN(C[C@@H](O1)C(=O)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-8(9(14)15)17-12(4,5)7-13/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m1/s1
InChIKey
UVCRSTLUNAIJQQ-MRVPVSSYSA-N
Compound name
(2R)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

259.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.149246 156.7
[M+Na]+ 282.131188 162.7
[M-H]- 258.134694 158.1
[M+NH4]+ 277.175793 172.6
[M+K]+ 298.105128 164.1
[M+H-H2O]+ 242.139230 152.1
[M+HCOO]- 304.140171 170.3
[M+CH3COO]- 318.155821 192.4
[M+Na-2H]- 280.116636 160.1
[M]+ 259.14142142 157.9
[M]- 259.14251858 157.9
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