CID 191965

Galactosyltrimethylammonium

Structural Information

Molecular Formula
C9H20NO5
SMILES
C[N+](C)(C)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C9H20NO5/c1-10(2,3)9-8(14)7(13)6(12)5(4-11)15-9/h5-9,11-14H,4H2,1-3H3/q+1/t5-,6+,7+,8-,9-/m1/s1
InChIKey
XJJVSXNWONDQRZ-QMGXLNLGSA-N
Compound name
trimethyl-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13416 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14144 145.6
[M+Na]+ 245.12338 151.5
[M-H]- 221.12688 146.3
[M+NH4]+ 240.16798 161.0
[M+K]+ 261.09732 145.7
[M+H-H2O]+ 205.13142 144.0
[M+HCOO]- 267.13236 160.4
[M+CH3COO]- 281.14801 178.5
[M+Na-2H]- 243.10883 152.0
[M]+ 222.13361 142.1
[M]- 222.13471 142.1
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.