CID 2724305

Tmpia

Structural Information

Molecular Formula

C₁₁H₂₀IN₂O₂

SMILES

CC1(CC(CC(N1[O])(C)C)NC(=O)CI)C

InChI

InChI=1S/C11H20IN2O2/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14(10)16/h8H,5-7H2,1-4H3,(H,13,15)

InChIKey

UCTVRHAKQRFPEZ-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 23
References: 9
Patents: 339.05695 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	340.06423	158.6
[M+Na]+	362.04617	158.7
[M-H]-	338.04967	154.1
[M+NH4]+	357.09077	174.5
[M+K]+	378.02011	164.0
[M+H-H2O]+	322.05421	150.4
[M+HCOO]-	384.05515	172.5
[M+CH3COO]-	398.07080	202.7
[M+Na-2H]-	360.03162	150.4
[M]+	339.05640	155.8
[M]-	339.05750	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe