CID 23028

6526-61-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 151.7
[M+Na]+ 261.084568 155.6
[M-H]- 237.088074 154.9
[M+NH4]+ 256.129173 167.7
[M+K]+ 277.058508 151.4
[M+H-H2O]+ 221.092610 149.4
[M+HCOO]- 283.093551 175.5
[M+CH3COO]- 297.109201 187.4
[M+Na-2H]- 259.070016 156.5
[M]+ 238.09480142 150.4
[M]- 238.09589858 150.4
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.