CID 61207

Tert-butyl formate

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC(C)(C)OC=O

InChI

InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3

InChIKey

RUPAXCPQAAOIPB-UHFFFAOYSA-N

Compound name

tert-butyl formate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 445
References: 39574
Patents: 102.06808 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]+	103.075356	118.3
[M+Na]+	125.057298	126.8
[M-H]-	101.060804	119.2
[M+NH4]+	120.101903	141.9
[M+K]+	141.031238	127.7
[M+H-H2O]+	85.065340	114.9
[M+HCOO]-	147.066281	141.6
[M+CH3COO]-	161.081931	166.8
[M+Na-2H]-	123.042746	126.8
[M]+	102.06753142	120.9
[M]-	102.06862858	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe