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

22
Patents

193.0739 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 137.8
[M+Na]+ 216.06312 146.8
[M-H]- 192.06662 143.4
[M+NH4]+ 211.10772 158.2
[M+K]+ 232.03706 145.9
[M+H-H2O]+ 176.07116 131.4
[M+HCOO]- 238.07210 165.7
[M+CH3COO]- 252.08775 187.8
[M+Na-2H]- 214.04857 145.0
[M]+ 193.07335 142.9
[M]- 193.07445 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