CID 22163508

2-isocyanato-2-methylpropanenitrile

Structural Information

Molecular Formula
C5H6N2O
SMILES
CC(C)(C#N)N=C=O
InChI
InChI=1S/C5H6N2O/c1-5(2,3-6)7-4-8/h1-2H3
InChIKey
UDEDMZWYIOCJKZ-UHFFFAOYSA-N
Compound name
2-isocyanato-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

110.04801 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 124.3
[M+Na]+ 133.03723 133.9
[M+NH4]+ 128.08183 128.5
[M+K]+ 149.01117 126.2
[M-H]- 109.04073 116.9
[M+Na-2H]- 131.02268 126.5
[M]+ 110.04746 122.5
[M]- 110.04856 122.5
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