CID 787687

4-nitrobenzyl carbamate

Structural Information

Molecular Formula
C8H8N2O4
SMILES
C1=CC(=CC=C1COC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O4/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2,(H2,9,11)
InChIKey
FPBOSUGVPBRYCA-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4940
Patents

196.0484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 137.6
[M+Na]+ 219.03762 148.9
[M+NH4]+ 214.08222 144.5
[M+K]+ 235.01156 147.2
[M-H]- 195.04112 140.1
[M+Na-2H]- 217.02307 143.0
[M]+ 196.04785 139.5
[M]- 196.04895 139.5
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