CID 114293371

1507977-56-1

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₂

SMILES

CC(C)(C)OC(=O)N(CCCl)C1CC1

InChI

InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12(7-6-11)8-4-5-8/h8H,4-7H2,1-3H3

InChIKey

ODZAKGHQEOJHRP-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.1026 Da
Monoisotopic Mass: 2.3
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]+	220.109876	147.9
[M+Na]+	242.091818	155.9
[M-H]-	218.095324	153.5
[M+NH4]+	237.136423	163.1
[M+K]+	258.065758	153.5
[M+H-H2O]+	202.099860	142.7
[M+HCOO]-	264.100801	166.1
[M+CH3COO]-	278.116451	194.7
[M+Na-2H]-	240.077266	152.1
[M]+	219.10205142	154.9
[M]-	219.10314858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.