CID 134129747

4,6-dimethylmorpholine-2-carbonitrile

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC1CN(CC(O1)C#N)C
InChI
InChI=1S/C7H12N2O/c1-6-4-9(2)5-7(3-8)10-6/h6-7H,4-5H2,1-2H3
InChIKey
BUYDNNIRXJMZPD-UHFFFAOYSA-N
Compound name
4,6-dimethylmorpholine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 123.5
[M+Na]+ 163.08418 132.6
[M-H]- 139.08768 125.8
[M+NH4]+ 158.12878 140.9
[M+K]+ 179.05812 132.3
[M+H-H2O]+ 123.09222 111.0
[M+HCOO]- 185.09316 139.4
[M+CH3COO]- 199.10881 187.4
[M+Na-2H]- 161.06963 129.6
[M]+ 140.09441 116.9
[M]- 140.09551 116.9
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.