CID 580441

870703-67-6

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

C1CCC(C(C1)NC=O)NC=O

InChI

InChI=1S/C8H14N2O2/c11-5-9-7-3-1-2-4-8(7)10-6-12/h5-8H,1-4H2,(H,9,11)(H,10,12)

InChIKey

DMSKHMRVHGNWMA-UHFFFAOYSA-N

Compound name

N-(2-formamidocyclohexyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.10553 Da
Monoisotopic Mass: 0.2
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]+	171.11281	135.2
[M+Na]+	193.09475	139.6
[M-H]-	169.09825	138.0
[M+NH4]+	188.13935	154.6
[M+K]+	209.06869	138.3
[M+H-H2O]+	153.10279	128.9
[M+HCOO]-	215.10373	158.5
[M+CH3COO]-	229.11938	182.7
[M+Na-2H]-	191.08020	140.9
[M]+	170.10498	130.7
[M]-	170.10608	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe