CID 383824

54648-79-2

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CC(C)NC(=NC(C)C)OC

InChI

InChI=1S/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)

InChIKey

PUVRRPLSJKDMKH-UHFFFAOYSA-N

Compound name

methyl N,N'-di(propan-2-yl)carbamimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 122
Patents: 158.1419 Da
Monoisotopic Mass: 1.6
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]+	159.14918	139.7
[M+Na]+	181.13112	144.6
[M-H]-	157.13462	141.4
[M+NH4]+	176.17572	160.9
[M+K]+	197.10506	146.0
[M+H-H2O]+	141.13916	134.0
[M+HCOO]-	203.14010	163.9
[M+CH3COO]-	217.15575	187.2
[M+Na-2H]-	179.11657	142.7
[M]+	158.14135	140.5
[M]-	158.14245	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe