CID 52055

73664-47-8

Structural Information

Molecular Formula
C9H11IN2O
SMILES
C1=CC=NC(=C1)CCNC(=O)CI
InChI
InChI=1S/C9H11IN2O/c10-7-9(13)12-6-4-8-3-1-2-5-11-8/h1-3,5H,4,6-7H2,(H,12,13)
InChIKey
NVVUQSCTGKWZDV-UHFFFAOYSA-N
Compound name
2-iodo-N-(2-pyridin-2-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.9916 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99888 150.8
[M+Na]+ 312.98082 150.0
[M-H]- 288.98432 145.6
[M+NH4]+ 308.02542 163.9
[M+K]+ 328.95476 153.8
[M+H-H2O]+ 272.98886 139.9
[M+HCOO]- 334.98980 169.0
[M+CH3COO]- 349.00545 191.3
[M+Na-2H]- 310.96627 145.2
[M]+ 289.99105 147.9
[M]- 289.99215 147.9
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.