CID 10918

(3-carboxy-2-(r)-hydroxy-propyl)-trimethyl-ammonium

Structural Information

Molecular Formula
C7H16NO3
SMILES
C[N+](C)(C)C[C@@H](CC(=O)O)O
InChI
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1
InChIKey
PHIQHXFUZVPYII-ZCFIWIBFSA-O
Compound name
[(2R)-3-carboxy-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

11204
References

100447
Patents

162.11302 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12030 132.3
[M+Na]+ 185.10224 138.1
[M-H]- 161.10574 131.7
[M+NH4]+ 180.14684 152.2
[M+K]+ 201.07618 133.1
[M+H-H2O]+ 145.11028 131.1
[M+HCOO]- 207.11122 152.4
[M+CH3COO]- 221.12687 172.2
[M+Na-2H]- 183.08769 139.5
[M]+ 162.11247 131.3
[M]- 162.11357 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe