CID 14599989

5-isocyanato-2-methoxypyridine

Structural Information

Molecular Formula
C7H6N2O2
SMILES
COC1=NC=C(C=C1)N=C=O
InChI
InChI=1S/C7H6N2O2/c1-11-7-3-2-6(4-8-7)9-5-10/h2-4H,1H3
InChIKey
JWFJBXAKNZCOLA-UHFFFAOYSA-N
Compound name
5-isocyanato-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

150.04292 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05020 126.0
[M+Na]+ 173.03214 135.4
[M-H]- 149.03564 130.2
[M+NH4]+ 168.07674 146.5
[M+K]+ 189.00608 134.6
[M+H-H2O]+ 133.04018 119.2
[M+HCOO]- 195.04112 153.4
[M+CH3COO]- 209.05677 178.1
[M+Na-2H]- 171.01759 135.6
[M]+ 150.04237 128.6
[M]- 150.04347 128.6
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