CID 9561017

Nsc2474

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CC/C(=N/OC(=O)NC1=CC=CC=C1)/C
InChI
InChI=1S/C11H14N2O2/c1-3-9(2)13-15-11(14)12-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,12,14)/b13-9+
InChIKey
VHHGDSIALNQNQD-UKTHLTGXSA-N
Compound name
[(E)-butan-2-ylideneamino] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 146.3
[M+Na]+ 229.094748 151.7
[M-H]- 205.098254 151.0
[M+NH4]+ 224.139353 165.1
[M+K]+ 245.068688 150.9
[M+H-H2O]+ 189.102790 139.1
[M+HCOO]- 251.103731 172.6
[M+CH3COO]- 265.119381 191.7
[M+Na-2H]- 227.080196 151.9
[M]+ 206.10498142 147.2
[M]- 206.10607858 147.2
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.