CID 4447749

Ortho-hydroxymethylephedrine

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C(C1=CC=CC=C1O)O)N(C)C
InChI
InChI=1S/C11H17NO2/c1-8(12(2)3)11(14)9-6-4-5-7-10(9)13/h4-8,11,13-14H,1-3H3
InChIKey
USYKCSXCGPVVLZ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)-1-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.8
[M+Na]+ 218.115148 150.1
[M-H]- 194.118654 147.1
[M+NH4]+ 213.159753 163.2
[M+K]+ 234.089088 149.4
[M+H-H2O]+ 178.123190 138.9
[M+HCOO]- 240.124131 165.7
[M+CH3COO]- 254.139781 187.5
[M+Na-2H]- 216.100596 147.2
[M]+ 195.12538142 144.1
[M]- 195.12647858 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

literature stripe

Patent stripe

No patent data available for this compound.