CID 365135

2-cyano-n-(2-hydroxyphenyl)acetamide

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C(C(=C1)NC(=O)CC#N)O
InChI
InChI=1S/C9H8N2O2/c10-6-5-9(13)11-7-3-1-2-4-8(7)12/h1-4,12H,5H2,(H,11,13)
InChIKey
VPYDYCHWWHBLLR-UHFFFAOYSA-N
Compound name
2-cyano-N-(2-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

176.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 139.8
[M+Na]+ 199.04780 148.9
[M-H]- 175.05130 142.0
[M+NH4]+ 194.09240 157.0
[M+K]+ 215.02174 146.1
[M+H-H2O]+ 159.05584 127.5
[M+HCOO]- 221.05678 159.8
[M+CH3COO]- 235.07243 191.8
[M+Na-2H]- 197.03325 145.1
[M]+ 176.05803 133.8
[M]- 176.05913 133.8
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