CID 213145

Dtxsid60948419

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

34
References

868
Patents

232.15488 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.162156 151.9
[M+Na]+ 255.144098 156.6
[M-H]- 231.147604 152.1
[M+NH4]+ 250.188703 169.6
[M+K]+ 271.118038 151.8
[M+H-H2O]+ 215.152140 149.8
[M+HCOO]- 277.153081 171.7
[M+CH3COO]- 291.168731 188.0
[M+Na-2H]- 253.129546 156.6
[M]+ 232.15433142 154.3
[M]- 232.15542858 154.3
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