CID 54539493

2-amino-3-methoxy-2-methylpropanenitrile

Structural Information

Molecular Formula
C5H10N2O
SMILES
CC(COC)(C#N)N
InChI
InChI=1S/C5H10N2O/c1-5(7,3-6)4-8-2/h4,7H2,1-2H3
InChIKey
ZCDCBMIBQMEIQA-UHFFFAOYSA-N
Compound name
2-amino-3-methoxy-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

114.079315 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.086591 124.5
[M+Na]+ 137.068533 133.3
[M-H]- 113.072039 125.2
[M+NH4]+ 132.113138 144.6
[M+K]+ 153.042473 133.8
[M+H-H2O]+ 97.076575 113.8
[M+HCOO]- 159.077516 144.2
[M+CH3COO]- 173.093166 185.0
[M+Na-2H]- 135.053981 131.4
[M]+ 114.07876642 119.5
[M]- 114.07986358 119.5
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