CID 4260017

Ethyl 2-isocyano-2-methylpropanoate

Structural Information

Molecular Formula
C7H11NO2
SMILES
CCOC(=O)C(C)(C)[N+]#[C-]
InChI
InChI=1S/C7H11NO2/c1-5-10-6(9)7(2,3)8-4/h5H2,1-3H3
InChIKey
LVKJJEGXLAIBFX-UHFFFAOYSA-N
Compound name
ethyl 2-isocyano-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

141.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 135.5
[M+Na]+ 164.068198 144.4
[M-H]- 140.071704 135.5
[M+NH4]+ 159.112803 154.4
[M+K]+ 180.042138 139.8
[M+H-H2O]+ 124.076240 129.7
[M+HCOO]- 186.077181 153.2
[M+CH3COO]- 200.092831 178.9
[M+Na-2H]- 162.053646 142.1
[M]+ 141.07843142 129.6
[M]- 141.07952858 129.6
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