CID 69695

2-methoxyphenyl isocyanate

Structural Information

Molecular Formula
C8H7NO2
SMILES
COC1=CC=CC=C1N=C=O
InChI
InChI=1S/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3
InChIKey
SUVCZZADQDCIEQ-UHFFFAOYSA-N
Compound name
1-isocyanato-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2060
Patents

149.04768 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 126.0
[M+Na]+ 172.03690 134.9
[M-H]- 148.04040 131.6
[M+NH4]+ 167.08150 147.9
[M+K]+ 188.01084 134.1
[M+H-H2O]+ 132.04494 120.1
[M+HCOO]- 194.04588 154.4
[M+CH3COO]- 208.06153 178.5
[M+Na-2H]- 170.02235 135.0
[M]+ 149.04713 128.5
[M]- 149.04823 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe