CID 27621

Carbamic acid, (2-butoxyethyl)ester

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

CCCCOCCOC(=O)N

InChI

InChI=1S/C7H15NO3/c1-2-3-4-10-5-6-11-7(8)9/h2-6H2,1H3,(H2,8,9)

InChIKey

QHHQZURUTXQADT-UHFFFAOYSA-N

Compound name

2-butoxyethyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 161.1052 Da
Monoisotopic Mass: 0.6
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]+	162.112476	135.8
[M+Na]+	184.094418	141.8
[M-H]-	160.097924	135.4
[M+NH4]+	179.139023	156.1
[M+K]+	200.068358	142.2
[M+H-H2O]+	144.102460	130.4
[M+HCOO]-	206.103401	159.6
[M+CH3COO]-	220.119051	179.5
[M+Na-2H]-	182.079866	140.2
[M]+	161.10465142	138.6
[M]-	161.10574858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe