CID 477532

Chembl83766

Structural Information

Molecular Formula
C19H38NO4
SMILES
CCCCCCCCCCC[C@]1(C[N+](C[C@H](O1)CC(=O)O)(C)C)O
InChI
InChI=1S/C19H37NO4/c1-4-5-6-7-8-9-10-11-12-13-19(23)16-20(2,3)15-17(24-19)14-18(21)22/h17,23H,4-16H2,1-3H3/p+1/t17-,19+/m1/s1
InChIKey
HYELKOOYCXCNIL-MJGOQNOKSA-O
Compound name
2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-undecylmorpholin-4-ium-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.2801 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.28738 184.9
[M+Na]+ 367.26932 187.6
[M-H]- 343.27282 183.5
[M+NH4]+ 362.31392 198.3
[M+K]+ 383.24326 180.0
[M+H-H2O]+ 327.27736 182.1
[M+HCOO]- 389.27830 196.1
[M+CH3COO]- 403.29395 202.6
[M+Na-2H]- 365.25477 187.9
[M]+ 344.27955 185.8
[M]- 344.28065 185.8
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.