CID 44862

63867-27-6

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(C)(CN(C)C)C(C#N)O
InChI
InChI=1S/C8H16N2O/c1-8(2,6-10(3)4)7(11)5-9/h7,11H,6H2,1-4H3
InChIKey
SIKJSEBSRRCVND-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-hydroxy-3,3-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 137.9
[M+Na]+ 179.11549 145.1
[M-H]- 155.11899 138.8
[M+NH4]+ 174.16009 156.7
[M+K]+ 195.08943 146.1
[M+H-H2O]+ 139.12353 126.8
[M+HCOO]- 201.12447 155.6
[M+CH3COO]- 215.14012 195.4
[M+Na-2H]- 177.10094 142.0
[M]+ 156.12572 133.7
[M]- 156.12682 133.7
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.