CID 2530251

2-methyl-2-(methylamino)propanenitrile

Structural Information

Molecular Formula
C5H10N2
SMILES
CC(C)(C#N)NC
InChI
InChI=1S/C5H10N2/c1-5(2,4-6)7-3/h7H,1-3H3
InChIKey
NKQVYJRZBVRXRU-UHFFFAOYSA-N
Compound name
2-methyl-2-(methylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1067
Patents

98.0844 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 121.6
[M+Na]+ 121.07362 130.5
[M-H]- 97.077124 122.9
[M+NH4]+ 116.11822 142.6
[M+K]+ 137.04756 130.8
[M+H-H2O]+ 81.081660 111.1
[M+HCOO]- 143.08260 141.7
[M+CH3COO]- 157.09825 183.9
[M+Na-2H]- 119.05907 129.5
[M]+ 98.083851 116.3
[M]- 98.084949 116.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe