CID 76520

Diisopropylcyanamide

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CC(C)N(C#N)C(C)C

InChI

InChI=1S/C7H14N2/c1-6(2)9(5-8)7(3)4/h6-7H,1-4H3

InChIKey

DGCUISYKMONQDH-UHFFFAOYSA-N

Compound name

di(propan-2-yl)cyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 95
Patents: 126.1157 Da
Monoisotopic Mass: 2.1
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]+	127.122976	128.8
[M+Na]+	149.104918	136.3
[M-H]-	125.108424	130.9
[M+NH4]+	144.149523	149.2
[M+K]+	165.078858	137.7
[M+H-H2O]+	109.112960	117.2
[M+HCOO]-	171.113901	148.4
[M+CH3COO]-	185.129551	193.9
[M+Na-2H]-	147.090366	132.4
[M]+	126.11515142	124.6
[M]-	126.11624858	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe