CID 15576830

2-amino-2-methylbutanenitrile

Structural Information

Molecular Formula
C5H10N2
SMILES
CCC(C)(C#N)N
InChI
InChI=1S/C5H10N2/c1-3-5(2,7)4-6/h3,7H2,1-2H3
InChIKey
JCLSEQJEXYHVTC-UHFFFAOYSA-N
Compound name
2-amino-2-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

177
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 122.4
[M+Na]+ 121.07362 131.2
[M-H]- 97.077124 123.2
[M+NH4]+ 116.11822 143.1
[M+K]+ 137.04756 131.3
[M+H-H2O]+ 81.081660 111.9
[M+HCOO]- 143.08260 141.9
[M+CH3COO]- 157.09825 183.3
[M+Na-2H]- 119.05907 129.2
[M]+ 98.083851 116.1
[M]- 98.084949 116.1
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