CID 21421898

27676-61-5

Structural Information

Molecular Formula

C₇H₁₂ClNO

SMILES

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

InChI

InChI=1S/C7H12ClNO/c1-5(2)9(6(3)4)7(8)10/h6H,1H2,2-4H3

InChIKey

AYMCRYGRXPAELG-UHFFFAOYSA-N

Compound name

N-propan-2-yl-N-prop-1-en-2-ylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.06075 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]+	162.06803	133.4
[M+Na]+	184.04997	140.4
[M-H]-	160.05347	135.3
[M+NH4]+	179.09457	155.4
[M+K]+	200.02391	139.6
[M+H-H2O]+	144.05801	129.7
[M+HCOO]-	206.05895	151.7
[M+CH3COO]-	220.07460	184.5
[M+Na-2H]-	182.03542	135.4
[M]+	161.06020	135.5
[M]-	161.06130	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe