CID 43371

N-nitrosobis(2-oxopropyl)amine

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

CC(=O)CN(CC(=O)C)N=O

InChI

InChI=1S/C6H10N2O3/c1-5(9)3-8(7-11)4-6(2)10/h3-4H2,1-2H3

InChIKey

AKRYBBWYDSDZHG-UHFFFAOYSA-N

Compound name

N,N-bis(2-oxopropyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 423
References: 495
Patents: 158.06914 Da
Monoisotopic Mass: -0.3
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]+	159.07642	131.1
[M+Na]+	181.05836	137.5
[M-H]-	157.06186	134.3
[M+NH4]+	176.10296	152.4
[M+K]+	197.03230	140.0
[M+H-H2O]+	141.06640	125.1
[M+HCOO]-	203.06734	158.2
[M+CH3COO]-	217.08299	188.0
[M+Na-2H]-	179.04381	135.9
[M]+	158.06859	134.9
[M]-	158.06969	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe