CID 11758

N-nitrosodiisopropylamine

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

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

InChI

InChI=1S/C6H14N2O/c1-5(2)8(7-9)6(3)4/h5-6H,1-4H3

InChIKey

AUIKJTGFPFLMFP-UHFFFAOYSA-N

Compound name

N,N-di(propan-2-yl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 228
Patents: 130.11061 Da
Monoisotopic Mass: 1.4
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	128.9
[M+Na]+	153.099828	134.8
[M-H]-	129.103334	132.2
[M+NH4]+	148.144433	151.7
[M+K]+	169.073768	137.7
[M+H-H2O]+	113.107870	123.3
[M+HCOO]-	175.108811	155.1
[M+CH3COO]-	189.124461	185.9
[M+Na-2H]-	151.085276	133.6
[M]+	130.11006142	131.2
[M]-	130.11115858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe