CID 24839888

Diethylaminolactonitrile iodomethylate

Structural Information

Molecular Formula
C7H14N2O
SMILES
CCN(CC)CC(C#N)O
InChI
InChI=1S/C7H14N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-4,6H2,1-2H3
InChIKey
ZSXXDTMZLZFOEW-UHFFFAOYSA-N
Compound name
3-(diethylamino)-2-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.11061 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 131.3
[M+Na]+ 165.09983 138.6
[M-H]- 141.10333 132.0
[M+NH4]+ 160.14443 150.5
[M+K]+ 181.07377 139.3
[M+H-H2O]+ 125.10787 119.7
[M+HCOO]- 187.10881 150.7
[M+CH3COO]- 201.12446 192.4
[M+Na-2H]- 163.08528 135.6
[M]+ 142.11006 127.3
[M]- 142.11116 127.3
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.