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

1301
Patents

146.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 130.9
[M+Na]+ 169.083518 138.6
[M-H]- 145.087024 131.7
[M+NH4]+ 164.128123 152.9
[M+K]+ 185.057458 139.8
[M+H-H2O]+ 129.091560 127.0
[M+HCOO]- 191.092501 152.9
[M+CH3COO]- 205.108151 174.3
[M+Na-2H]- 167.068966 137.1
[M]+ 146.09375142 135.0
[M]- 146.09484858 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