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
5
Annotation Hits

445
References

18759
Patents

102.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 119.2
[M+Na]+ 125.05730 129.9
[M+NH4]+ 120.10190 127.2
[M+K]+ 141.03124 125.4
[M-H]- 101.06080 118.1
[M+Na-2H]- 123.04275 123.6
[M]+ 102.06753 120.3
[M]- 102.06863 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe