CID 106065

Acetamide, n-[3-[(2-cyanoethyl)amino]-4-hydroxyphenyl]-

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 151.9
[M+Na]+ 242.08999 159.9
[M-H]- 218.09349 153.9
[M+NH4]+ 237.13459 167.3
[M+K]+ 258.06393 157.2
[M+H-H2O]+ 202.09803 139.0
[M+HCOO]- 264.09897 172.1
[M+CH3COO]- 278.11462 203.0
[M+Na-2H]- 240.07544 155.7
[M]+ 219.10022 146.1
[M]- 219.10132 146.1
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.