CID 545840

Tert-butyl ethyl carbonate

Structural Information

Molecular Formula
C7H14O3
SMILES
CCOC(=O)OC(C)(C)C
InChI
InChI=1S/C7H14O3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3
InChIKey
FSZKWHBYBSGMJD-UHFFFAOYSA-N
Compound name
tert-butyl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1315
Patents

146.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 130.9
[M+Na]+ 169.08352 138.6
[M-H]- 145.08702 131.7
[M+NH4]+ 164.12812 152.9
[M+K]+ 185.05746 139.8
[M+H-H2O]+ 129.09156 127.0
[M+HCOO]- 191.09250 153.0
[M+CH3COO]- 205.10815 174.3
[M+Na-2H]- 167.06897 137.1
[M]+ 146.09375 135.0
[M]- 146.09485 135.0
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