CID 53249790

2,4-di-tert-butyl-5-nitrophenyl methyl carbonate

Structural Information

Molecular Formula
C16H23NO5
SMILES
CC(C)(C)C1=CC(=C(C=C1[N+](=O)[O-])OC(=O)OC)C(C)(C)C
InChI
InChI=1S/C16H23NO5/c1-15(2,3)10-8-11(16(4,5)6)13(22-14(18)21-7)9-12(10)17(19)20/h8-9H,1-7H3
InChIKey
QBDLLAFFRJOLHZ-UHFFFAOYSA-N
Compound name
(2,4-ditert-butyl-5-nitrophenyl) methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

458
Patents

309.15762 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16490 169.3
[M+Na]+ 332.14684 180.3
[M+NH4]+ 327.19144 174.7
[M+K]+ 348.12078 179.6
[M-H]- 308.15034 169.9
[M+Na-2H]- 330.13229 172.7
[M]+ 309.15707 170.9
[M]- 309.15817 170.9
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