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
7
Annotation Hits

65
References

1256
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 151.9
[M+Na]+ 255.14410 156.6
[M-H]- 231.14760 152.1
[M+NH4]+ 250.18870 169.6
[M+K]+ 271.11804 151.8
[M+H-H2O]+ 215.15214 149.8
[M+HCOO]- 277.15308 171.7
[M+CH3COO]- 291.16873 188.0
[M+Na-2H]- 253.12955 156.6
[M]+ 232.15433 154.3
[M]- 232.15543 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