CID 45092379

178181-51-6

Structural Information

Molecular Formula

C₈H₁₆FNO₂

SMILES

CC(C)(C)OC(=O)NCCCF

InChI

InChI=1S/C8H16FNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)

InChIKey

PWCMDZUAQPMAHW-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-fluoropropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 177.1165 Da
Monoisotopic Mass: 1.6
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]+	178.12378	140.0
[M+Na]+	200.10572	146.2
[M-H]-	176.10922	138.9
[M+NH4]+	195.15032	160.2
[M+K]+	216.07966	146.2
[M+H-H2O]+	160.11376	134.4
[M+HCOO]-	222.11470	161.3
[M+CH3COO]-	236.13035	182.9
[M+Na-2H]-	198.09117	145.0
[M]+	177.11595	140.8
[M]-	177.11705	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe