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

19
Patents

141.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 135.5
[M+Na]+ 164.06820 144.4
[M-H]- 140.07170 135.5
[M+NH4]+ 159.11280 154.4
[M+K]+ 180.04214 139.8
[M+H-H2O]+ 124.07624 129.7
[M+HCOO]- 186.07718 153.2
[M+CH3COO]- 200.09283 178.9
[M+Na-2H]- 162.05365 142.1
[M]+ 141.07843 129.6
[M]- 141.07953 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