CID 16222514

4-hydroxybenzenepropanamide

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1=CC(=CC=C1CCC(=O)N)O
InChI
InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12)
InChIKey
OEHZEBOCZWCVMK-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4849
Patents

165.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.3
[M+Na]+ 188.06820 141.3
[M-H]- 164.07170 136.3
[M+NH4]+ 183.11280 153.7
[M+K]+ 204.04214 139.0
[M+H-H2O]+ 148.07624 128.6
[M+HCOO]- 210.07718 157.4
[M+CH3COO]- 224.09283 178.1
[M+Na-2H]- 186.05365 139.2
[M]+ 165.07843 132.4
[M]- 165.07953 132.4
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