CID 213145

25518-46-1

Structural Information

Molecular Formula
C11H22NO4
SMILES
CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/p+1/t9-/m1/s1
InChIKey
QWYFHHGCZUCMBN-SECBINFHSA-O
Compound name
[(2R)-2-butanoyloxy-3-carboxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

65
References

1221
Patents

232.15488 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16216 152.0
[M+Na]+ 255.14410 160.5
[M+NH4]+ 250.18870 158.0
[M+K]+ 271.11804 158.7
[M-H]- 231.14760 150.8
[M+Na-2H]- 253.12955 153.6
[M]+ 232.15433 152.8
[M]- 232.15543 152.8
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

patents stripe