CID 3555791

Cyclohexyl n-(3-nitrophenyl)carbamate

Structural Information

Molecular Formula
C13H16N2O4
SMILES
C1CCC(CC1)OC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H16N2O4/c16-13(19-12-7-2-1-3-8-12)14-10-5-4-6-11(9-10)15(17)18/h4-6,9,12H,1-3,7-8H2,(H,14,16)
InChIKey
KWQGYEUPMCYARW-UHFFFAOYSA-N
Compound name
cyclohexyl N-(3-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.111 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.118276 157.4
[M+Na]+ 287.100218 159.7
[M-H]- 263.103724 162.9
[M+NH4]+ 282.144823 171.9
[M+K]+ 303.074158 154.0
[M+H-H2O]+ 247.108260 154.0
[M+HCOO]- 309.109201 179.4
[M+CH3COO]- 323.124851 190.0
[M+Na-2H]- 285.085666 162.7
[M]+ 264.11045142 151.6
[M]- 264.11154858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe