CID 55285153

29104-67-4

Structural Information

Molecular Formula

C₄H₁₁N₃O

SMILES

CNCCN(C)N=O

InChI

InChI=1S/C4H11N3O/c1-5-3-4-7(2)6-8/h5H,3-4H2,1-2H3

InChIKey

ZXMNSYOLWDPQRP-UHFFFAOYSA-N

Compound name

N-methyl-N-[2-(methylamino)ethyl]nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 117.09021 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]+	118.097486	122.4
[M+Na]+	140.079428	128.6
[M-H]-	116.082934	125.7
[M+NH4]+	135.124033	145.3
[M+K]+	156.053368	131.0
[M+H-H2O]+	100.087470	116.3
[M+HCOO]-	162.088411	152.2
[M+CH3COO]-	176.104061	183.0
[M+Na-2H]-	138.064876	130.8
[M]+	117.08966142	124.3
[M]-	117.09075858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.