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

11258
References

102572
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.