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

1
Patents

128.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 128.5
[M+Na]+ 151.08418 136.9
[M-H]- 127.08768 129.0
[M+NH4]+ 146.12878 148.1
[M+K]+ 167.05812 137.1
[M+H-H2O]+ 111.09222 117.6
[M+HCOO]- 173.09316 147.9
[M+CH3COO]- 187.10881 187.8
[M+Na-2H]- 149.06963 134.9
[M]+ 128.09441 123.9
[M]- 128.09551 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