CID 106065

67905-63-9

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC(=O)NC1=CC(=C(C=C1)O)NCCC#N
InChI
InChI=1S/C11H13N3O2/c1-8(15)14-9-3-4-11(16)10(7-9)13-6-2-5-12/h3-4,7,13,16H,2,6H2,1H3,(H,14,15)
InChIKey
ODVOQTAXTDMKPZ-UHFFFAOYSA-N
Compound name
N-[3-(2-cyanoethylamino)-4-hydroxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 152.3
[M+Na]+ 242.08999 161.5
[M+NH4]+ 237.13459 155.4
[M+K]+ 258.06393 153.3
[M-H]- 218.09349 146.5
[M+Na-2H]- 240.07544 154.4
[M]+ 219.10022 150.8
[M]- 219.10132 150.8
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.