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

1
Annotation Hits: 0
References: 674
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]+	164.08367	135.0
[M+Na]+	186.06561	141.7
[M-H]-	162.06911	136.8
[M+NH4]+	181.11021	157.0
[M+K]+	202.03955	141.5
[M+H-H2O]+	146.07365	131.1
[M+HCOO]-	208.07459	153.1
[M+CH3COO]-	222.09024	185.5
[M+Na-2H]-	184.05106	136.9
[M]+	163.07584	137.8
[M]-	163.07694	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe