CID 87890

Diisopropylcarbamoyl chloride

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

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

InChI

InChI=1S/C7H14ClNO/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3

InChIKey

RSAFAYLZKCYUQW-UHFFFAOYSA-N

Compound name

N,N-di(propan-2-yl)carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 747
Patents: 163.07639 Da
Monoisotopic Mass: 2.4
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]+	164.083666	135.0
[M+Na]+	186.065608	141.7
[M-H]-	162.069114	136.8
[M+NH4]+	181.110213	157.0
[M+K]+	202.039548	141.5
[M+H-H2O]+	146.073650	131.1
[M+HCOO]-	208.074591	153.1
[M+CH3COO]-	222.090241	185.5
[M+Na-2H]-	184.051056	136.9
[M]+	163.07584142	137.8
[M]-	163.07693858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe