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]+ 207.11281 146.3
[M+Na]+ 229.09475 151.7
[M-H]- 205.09825 151.0
[M+NH4]+ 224.13935 165.1
[M+K]+ 245.06869 150.9
[M+H-H2O]+ 189.10279 139.1
[M+HCOO]- 251.10373 172.6
[M+CH3COO]- 265.11938 191.7
[M+Na-2H]- 227.08020 151.9
[M]+ 206.10498 147.2
[M]- 206.10608 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.