CID 83324

13303-10-1

Structural Information

Molecular Formula
C11H13NO5
SMILES
CC(C)(C)OC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H13NO5/c1-11(2,3)17-10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3
InChIKey
XNPGBDJTEBCMHA-UHFFFAOYSA-N
Compound name
tert-butyl (4-nitrophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

239.07938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 150.3
[M+Na]+ 262.06860 157.0
[M-H]- 238.07210 154.3
[M+NH4]+ 257.11320 167.3
[M+K]+ 278.04254 152.9
[M+H-H2O]+ 222.07664 149.1
[M+HCOO]- 284.07758 173.8
[M+CH3COO]- 298.09323 183.8
[M+Na-2H]- 260.05405 157.9
[M]+ 239.07883 152.3
[M]- 239.07993 152.3
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