CID 24229549

2-isocyanato-3-methylfuran

Structural Information

Molecular Formula
C6H5NO2
SMILES
CC1=C(OC=C1)N=C=O
InChI
InChI=1S/C6H5NO2/c1-5-2-3-9-6(5)7-4-8/h2-3H,1H3
InChIKey
OMYDOMPNLAYEPL-UHFFFAOYSA-N
Compound name
2-isocyanato-3-methylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.03203 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.03931 119.2
[M+Na]+ 146.02125 128.9
[M-H]- 122.02475 125.5
[M+NH4]+ 141.06585 142.6
[M+K]+ 161.99519 129.6
[M+H-H2O]+ 106.02929 114.1
[M+HCOO]- 168.03023 147.9
[M+CH3COO]- 182.04588 172.4
[M+Na-2H]- 144.00670 127.9
[M]+ 123.03148 122.2
[M]- 123.03258 122.2
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.