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

27
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 122.2
[M+Na]+ 133.03723 131.9
[M-H]- 109.04073 124.7
[M+NH4]+ 128.08183 143.2
[M+K]+ 149.01117 132.4
[M+H-H2O]+ 93.045270 111.3
[M+HCOO]- 155.04621 144.1
[M+CH3COO]- 169.06186 185.7
[M+Na-2H]- 131.02268 130.4
[M]+ 110.04746 118.5
[M]- 110.04856 118.5
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