CID 60372

109732-00-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

226.14432 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15160 149.1
[M+Na]+ 249.13354 161.2
[M+NH4]+ 244.17814 157.3
[M+K]+ 265.10748 157.3
[M-H]- 225.13704 151.7
[M+Na-2H]- 247.11899 155.4
[M]+ 226.14377 151.8
[M]- 226.14487 151.8
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.