CID 2769374

54213-21-7

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC(C)(C(=O)OC)N=C=O
InChI
InChI=1S/C6H9NO3/c1-6(2,7-4-8)5(9)10-3/h1-3H3
InChIKey
LHBQMHJYTCLFRO-UHFFFAOYSA-N
Compound name
methyl 2-isocyanato-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

143.05824 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 126.5
[M+Na]+ 166.04746 134.5
[M-H]- 142.05096 128.7
[M+NH4]+ 161.09206 148.6
[M+K]+ 182.02140 135.6
[M+H-H2O]+ 126.05550 122.1
[M+HCOO]- 188.05644 151.7
[M+CH3COO]- 202.07209 177.5
[M+Na-2H]- 164.03291 134.0
[M]+ 143.05769 129.9
[M]- 143.05879 129.9
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