CID 5311429

Sch 50911

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC1(CO[C@H](CN1)CC(=O)O)C
InChI
InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey
SEYCKMQSPUVYEF-LURJTMIESA-N
Compound name
2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

93
References

104
Patents

173.1052 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.5
[M+Na]+ 196.09442 147.8
[M+NH4]+ 191.13902 146.4
[M+K]+ 212.06836 142.5
[M-H]- 172.09792 138.9
[M+Na-2H]- 194.07987 142.2
[M]+ 173.10465 139.7
[M]- 173.10575 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe