CID 2771559

2-(isocyanomethyl)furan

Structural Information

Molecular Formula
C6H5NO
SMILES
[C-]#[N+]CC1=CC=CO1
InChI
InChI=1S/C6H5NO/c1-7-5-6-3-2-4-8-6/h2-4H,5H2
InChIKey
GFMCZLFTIHYPHD-UHFFFAOYSA-N
Compound name
2-(isocyanomethyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

107.03712 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.04440 123.2
[M+Na]+ 130.02634 133.6
[M-H]- 106.02984 125.8
[M+NH4]+ 125.07094 143.3
[M+K]+ 146.00028 127.6
[M+H-H2O]+ 90.034380 116.1
[M+HCOO]- 152.03532 144.0
[M+CH3COO]- 166.05097 171.1
[M+Na-2H]- 128.01179 131.9
[M]+ 107.03657 116.3
[M]- 107.03767 116.3
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