CID 21404122

Butyl(nitroso)(propan-2-yl)amine

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCCCN(C(C)C)N=O

InChI

InChI=1S/C7H16N2O/c1-4-5-6-9(8-10)7(2)3/h7H,4-6H2,1-3H3

InChIKey

XMWTWTJPIUVQRR-UHFFFAOYSA-N

Compound name

N-butyl-N-propan-2-ylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 144.12627 Da
Monoisotopic Mass: 2.2
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]+	145.13355	133.2
[M+Na]+	167.11549	138.9
[M-H]-	143.11899	136.2
[M+NH4]+	162.16009	155.5
[M+K]+	183.08943	141.0
[M+H-H2O]+	127.12353	127.3
[M+HCOO]-	189.12447	160.1
[M+CH3COO]-	203.14012	188.0
[M+Na-2H]-	165.10094	138.6
[M]+	144.12572	136.5
[M]-	144.12682	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe