CID 4179348

Tert-butylcyanamide

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CC(C)(C)NC#N

InChI

InChI=1S/C5H10N2/c1-5(2,3)7-4-6/h7H,1-3H3

InChIKey

IBQCYUBVFOFMRI-UHFFFAOYSA-N

Compound name

tert-butylcyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 98.0844 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]+	99.091676	122.0
[M+Na]+	121.07362	130.9
[M-H]-	97.077124	123.3
[M+NH4]+	116.11822	143.0
[M+K]+	137.04756	131.2
[M+H-H2O]+	81.081660	111.5
[M+HCOO]-	143.08260	142.1
[M+CH3COO]-	157.09825	183.3
[M+Na-2H]-	119.05907	129.8
[M]+	98.083851	116.6
[M]-	98.084949	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe