CID 24229546

3-isocyanato-2-methylfuran

Structural Information

Molecular Formula
C6H5NO2
SMILES
CC1=C(C=CO1)N=C=O
InChI
InChI=1S/C6H5NO2/c1-5-6(7-4-8)2-3-9-5/h2-3H,1H3
InChIKey
SMDGMPKSJDTEJQ-UHFFFAOYSA-N
Compound name
3-isocyanato-2-methylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

123.03203 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.039306 119.2
[M+Na]+ 146.021248 128.9
[M-H]- 122.024754 125.5
[M+NH4]+ 141.065853 142.6
[M+K]+ 161.995188 129.6
[M+H-H2O]+ 106.029290 114.1
[M+HCOO]- 168.030231 147.9
[M+CH3COO]- 182.045881 172.4
[M+Na-2H]- 144.006696 127.9
[M]+ 123.03148142 122.2
[M]- 123.03257858 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

patents stripe