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

13
Patents

259.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 156.7
[M+Na]+ 282.13119 162.7
[M-H]- 258.13469 158.1
[M+NH4]+ 277.17579 172.6
[M+K]+ 298.10513 164.1
[M+H-H2O]+ 242.13923 152.1
[M+HCOO]- 304.14017 170.3
[M+CH3COO]- 318.15582 192.4
[M+Na-2H]- 280.11664 160.1
[M]+ 259.14142 157.9
[M]- 259.14252 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