CID 20991671

2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC1CN(CC(O1)C)C(C(C)C)C(=O)O
InChI
InChI=1S/C11H21NO3/c1-7(2)10(11(13)14)12-5-8(3)15-9(4)6-12/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKey
IVUIOODROCAWAT-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.15215 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 151.2
[M+Na]+ 238.14137 155.7
[M-H]- 214.14487 152.0
[M+NH4]+ 233.18597 166.5
[M+K]+ 254.11531 156.3
[M+H-H2O]+ 198.14941 145.0
[M+HCOO]- 260.15035 164.9
[M+CH3COO]- 274.16600 188.9
[M+Na-2H]- 236.12682 150.8
[M]+ 215.15160 149.4
[M]- 215.15270 149.4
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.