CID 46780899

Tert-butyl n-(3-bromopropyl)-n-methylcarbamate

Structural Information

Molecular Formula

C₉H₁₈BrNO₂

SMILES

CC(C)(C)OC(=O)N(C)CCCBr

InChI

InChI=1S/C9H18BrNO2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7H2,1-4H3

InChIKey

PIUWBRCCWDAPFG-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-bromopropyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 251.0521 Da
Monoisotopic Mass: 2.2
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]+	252.05938	152.3
[M+Na]+	274.04132	161.7
[M-H]-	250.04482	156.5
[M+NH4]+	269.08592	173.7
[M+K]+	290.01526	152.9
[M+H-H2O]+	234.04936	152.0
[M+HCOO]-	296.05030	172.2
[M+CH3COO]-	310.06595	196.3
[M+Na-2H]-	272.02677	157.6
[M]+	251.05155	174.0
[M]-	251.05265	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe