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]+ 220.108046 151.9
[M+Na]+ 242.089988 159.9
[M-H]- 218.093494 153.9
[M+NH4]+ 237.134593 167.3
[M+K]+ 258.063928 157.2
[M+H-H2O]+ 202.098030 139.0
[M+HCOO]- 264.098971 172.1
[M+CH3COO]- 278.114621 203.0
[M+Na-2H]- 240.075436 155.7
[M]+ 219.10022142 146.1
[M]- 219.10131858 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.