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]+ 290.998876 150.8
[M+Na]+ 312.980818 150.0
[M-H]- 288.984324 145.6
[M+NH4]+ 308.025423 163.9
[M+K]+ 328.954758 153.8
[M+H-H2O]+ 272.988860 139.9
[M+HCOO]- 334.989801 169.0
[M+CH3COO]- 349.005451 191.3
[M+Na-2H]- 310.966266 145.2
[M]+ 289.99105142 147.9
[M]- 289.99214858 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.