CID 60370

109731-99-9

Structural Information

Molecular Formula
C12H20NO3
SMILES
C[N+](C)(C)C1=CC=CC=C1OCC(CO)O
InChI
InChI=1S/C12H20NO3/c1-13(2,3)11-6-4-5-7-12(11)16-9-10(15)8-14/h4-7,10,14-15H,8-9H2,1-3H3/q+1
InChIKey
CHTYAOFQVPGHBU-UHFFFAOYSA-N
Compound name
[2-(2,3-dihydroxypropoxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.14432 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15160 150.0
[M+Na]+ 249.13354 155.6
[M-H]- 225.13704 152.5
[M+NH4]+ 244.17814 167.3
[M+K]+ 265.10748 148.8
[M+H-H2O]+ 209.14158 147.1
[M+HCOO]- 271.14252 170.7
[M+CH3COO]- 285.15817 184.0
[M+Na-2H]- 247.11899 157.7
[M]+ 226.14377 150.1
[M]- 226.14487 150.1
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.