CID 2771549

1-isocyano-2-methoxyethane

Structural Information

Molecular Formula
C4H7NO
SMILES
COCC[N+]#[C-]
InChI
InChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H2,2H3
InChIKey
RXRQOZYTUCHGHK-UHFFFAOYSA-N
Compound name
1-isocyano-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

85.052765 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 117.1
[M+Na]+ 108.04198 126.8
[M-H]- 84.045489 117.1
[M+NH4]+ 103.08659 138.0
[M+K]+ 124.01592 122.3
[M+H-H2O]+ 68.050025 111.4
[M+HCOO]- 130.05097 137.5
[M+CH3COO]- 144.06662 170.0
[M+Na-2H]- 106.02743 125.7
[M]+ 85.052216 110.9
[M]- 85.053314 110.9
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