CID 83679644

2287345-23-5

Structural Information

Molecular Formula
C7H13NO3
SMILES
CC1(COC(CN1)C(=O)O)C
InChI
InChI=1S/C7H13NO3/c1-7(2)4-11-5(3-8-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKey
MOPJMKPQANCZCZ-UHFFFAOYSA-N
Compound name
5,5-dimethylmorpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 133.5
[M+Na]+ 182.07876 139.7
[M-H]- 158.08226 133.5
[M+NH4]+ 177.12336 152.2
[M+K]+ 198.05270 139.7
[M+H-H2O]+ 142.08680 128.7
[M+HCOO]- 204.08774 149.0
[M+CH3COO]- 218.10339 170.6
[M+Na-2H]- 180.06421 139.1
[M]+ 159.08899 129.5
[M]- 159.09009 129.5
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

No patent data available for this compound.