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

30
Patents

114.079315 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.08659 124.5
[M+Na]+ 137.06853 133.3
[M-H]- 113.07204 125.2
[M+NH4]+ 132.11314 144.6
[M+K]+ 153.04247 133.8
[M+H-H2O]+ 97.076575 113.8
[M+HCOO]- 159.07752 144.2
[M+CH3COO]- 173.09317 185.0
[M+Na-2H]- 135.05398 131.4
[M]+ 114.07877 119.5
[M]- 114.07986 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