CID 103375824

2-(2-hydroxyethoxy)-2-methylpropanenitrile

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC(C)(C#N)OCCO
InChI
InChI=1S/C6H11NO2/c1-6(2,5-7)9-4-3-8/h8H,3-4H2,1-2H3
InChIKey
IQIROQMLRMJDQK-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 126.8
[M+Na]+ 152.068198 135.8
[M-H]- 128.071704 126.8
[M+NH4]+ 147.112803 146.4
[M+K]+ 168.042138 135.9
[M+H-H2O]+ 112.076240 116.5
[M+HCOO]- 174.077181 145.0
[M+CH3COO]- 188.092831 183.4
[M+Na-2H]- 150.053646 133.8
[M]+ 129.07843142 123.6
[M]- 129.07952858 123.6
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

No patent data available for this compound.