CID 91603

Methyl(neopentyl)nitrosamine

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

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

InChI

InChI=1S/C6H14N2O/c1-6(2,3)5-8(4)7-9/h5H2,1-4H3

InChIKey

XEAQPCFJFQRDDZ-UHFFFAOYSA-N

Compound name

N-(2,2-dimethylpropyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 51
Patents: 130.11061 Da
Monoisotopic Mass: 1.9
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]+	131.117886	127.5
[M+Na]+	153.099828	134.5
[M-H]-	129.103334	131.1
[M+NH4]+	148.144433	150.7
[M+K]+	169.073768	136.8
[M+H-H2O]+	113.107870	122.5
[M+HCOO]-	175.108811	154.3
[M+CH3COO]-	189.124461	183.8
[M+Na-2H]-	151.085276	135.5
[M]+	130.11006142	130.6
[M]-	130.11115858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe