CID 61871759

2-amino-4-methoxy-2-methylbutanenitrile

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC(CCOC)(C#N)N
InChI
InChI=1S/C6H12N2O/c1-6(8,5-7)3-4-9-2/h3-4,8H2,1-2H3
InChIKey
OQDBJGPHRFFQAV-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-2-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

128.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 128.5
[M+Na]+ 151.084178 136.9
[M-H]- 127.087684 129.0
[M+NH4]+ 146.128783 148.1
[M+K]+ 167.058118 137.1
[M+H-H2O]+ 111.092220 117.6
[M+HCOO]- 173.093161 147.9
[M+CH3COO]- 187.108811 187.8
[M+Na-2H]- 149.069626 134.9
[M]+ 128.09441142 123.9
[M]- 128.09550858 123.9
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