CID 239185

6328-95-6

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC(C)(COC(=O)NC1=CC=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O4/c1-11(2,13(15)16)8-17-10(14)12-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)
InChIKey
ILAKSNMRPQGCEK-UHFFFAOYSA-N
Compound name
(2-methyl-2-nitropropyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 150.8
[M+Na]+ 261.08457 155.7
[M-H]- 237.08807 154.3
[M+NH4]+ 256.12917 167.1
[M+K]+ 277.05851 150.9
[M+H-H2O]+ 221.09261 149.1
[M+HCOO]- 283.09355 175.1
[M+CH3COO]- 297.10920 186.1
[M+Na-2H]- 259.07002 159.3
[M]+ 238.09480 150.3
[M]- 238.09590 150.3
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.