CID 162915350

Meta-hydroxymethylephedrine

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C(C1=CC(=CC=C1)O)O)N(C)C
InChI
InChI=1S/C11H17NO2/c1-8(12(2)3)11(14)9-5-4-6-10(13)7-9/h4-8,11,13-14H,1-3H3
InChIKey
SELBTCUJQZFSFO-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)-1-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.8
[M+Na]+ 218.11515 150.1
[M-H]- 194.11865 147.1
[M+NH4]+ 213.15975 163.2
[M+K]+ 234.08909 149.4
[M+H-H2O]+ 178.12319 138.9
[M+HCOO]- 240.12413 165.7
[M+CH3COO]- 254.13978 187.5
[M+Na-2H]- 216.10060 147.2
[M]+ 195.12538 144.1
[M]- 195.12648 144.1
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.