CID 46194

Acetophenone, m-hydroxymethylamino-, hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(=O)C1=CC(=CC=C1)N(C)O
InChI
InChI=1S/C9H11NO2/c1-7(11)8-4-3-5-9(6-8)10(2)12/h3-6,12H,1-2H3
InChIKey
RVKGJUPHSRQESM-UHFFFAOYSA-N
Compound name
1-[3-[hydroxy(methyl)amino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.2
[M+Na]+ 188.068198 140.4
[M-H]- 164.071704 137.3
[M+NH4]+ 183.112803 153.6
[M+K]+ 204.042138 139.9
[M+H-H2O]+ 148.076240 127.4
[M+HCOO]- 210.077181 157.5
[M+CH3COO]- 224.092831 182.2
[M+Na-2H]- 186.053646 138.6
[M]+ 165.07843142 133.7
[M]- 165.07952858 133.7
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.