CID 16228038

1-ethoxy-4-isocyanato-2-methoxybenzene

Structural Information

Molecular Formula
C10H11NO3
SMILES
CCOC1=C(C=C(C=C1)N=C=O)OC
InChI
InChI=1S/C10H11NO3/c1-3-14-9-5-4-8(11-7-12)6-10(9)13-2/h4-6H,3H2,1-2H3
InChIKey
KEIPTCZQJWWAKE-UHFFFAOYSA-N
Compound name
1-ethoxy-4-isocyanato-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

193.0739 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 137.8
[M+Na]+ 216.063118 146.8
[M-H]- 192.066624 143.4
[M+NH4]+ 211.107723 158.2
[M+K]+ 232.037058 145.9
[M+H-H2O]+ 176.071160 131.4
[M+HCOO]- 238.072101 165.7
[M+CH3COO]- 252.087751 187.8
[M+Na-2H]- 214.048566 145.0
[M]+ 193.07335142 142.9
[M]- 193.07444858 142.9
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

patents stripe