CID 3018982

N-(2-aminoethyl)-4-hydroxybenzamide

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CC(=CC=C1C(=O)NCCN)O
InChI
InChI=1S/C9H12N2O2/c10-5-6-11-9(13)7-1-3-8(12)4-2-7/h1-4,12H,5-6,10H2,(H,11,13)
InChIKey
UKTLWMQAFZSILY-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

180.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.1
[M+Na]+ 203.079088 144.3
[M-H]- 179.082594 140.1
[M+NH4]+ 198.123693 156.6
[M+K]+ 219.053028 142.0
[M+H-H2O]+ 163.087130 131.9
[M+HCOO]- 225.088071 162.2
[M+CH3COO]- 239.103721 182.6
[M+Na-2H]- 201.064536 143.3
[M]+ 180.08932142 135.4
[M]- 180.09041858 135.4
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

patents stripe