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

0
Patents

264.111 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 157.4
[M+Na]+ 287.10022 159.7
[M-H]- 263.10372 162.9
[M+NH4]+ 282.14482 171.9
[M+K]+ 303.07416 154.0
[M+H-H2O]+ 247.10826 154.0
[M+HCOO]- 309.10920 179.4
[M+CH3COO]- 323.12485 190.0
[M+Na-2H]- 285.08567 162.7
[M]+ 264.11045 151.6
[M]- 264.11155 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

No patent data available for this compound.