CID 11614

Butyl formate

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CCCCOC=O

InChI

InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3

InChIKey

NMJJFJNHVMGPGM-UHFFFAOYSA-N

Compound name

butyl formate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 21
References: 53571
Patents: 102.06808 Da
Monoisotopic Mass: 1.4
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]+	103.07536	118.8
[M+Na]+	125.05730	129.7
[M+NH4]+	120.10190	127.0
[M+K]+	141.03124	124.0
[M-H]-	101.06080	118.3
[M+Na-2H]-	123.04275	123.3
[M]+	102.06753	120.0
[M]-	102.06863	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe