CID 787687

(4-nitrophenyl)methyl 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

5116
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 137.4
[M+Na]+ 219.03762 143.9
[M-H]- 195.04112 140.8
[M+NH4]+ 214.08222 155.1
[M+K]+ 235.01156 139.0
[M+H-H2O]+ 179.04566 135.6
[M+HCOO]- 241.04660 163.4
[M+CH3COO]- 255.06225 177.9
[M+Na-2H]- 217.02307 144.4
[M]+ 196.04785 135.7
[M]- 196.04895 135.7
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