CID 3026651

N-butylcarbamate

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CCCCNC(=O)O

InChI

InChI=1S/C5H11NO2/c1-2-3-4-6-5(7)8/h6H,2-4H2,1H3,(H,7,8)

InChIKey

ZZHGIUCYKGFIPV-UHFFFAOYSA-N

Compound name

butylcarbamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4814
Patents: 117.07898 Da
Monoisotopic Mass: 1.1
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]+	118.08626	124.3
[M+Na]+	140.06820	130.7
[M-H]-	116.07170	123.4
[M+NH4]+	135.11280	145.9
[M+K]+	156.04214	130.6
[M+H-H2O]+	100.07624	119.7
[M+HCOO]-	162.07718	147.6
[M+CH3COO]-	176.09283	169.4
[M+Na-2H]-	138.05365	130.3
[M]+	117.07843	123.9
[M]-	117.07953	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe