CID 58507921

4-(propan-2-yl)morpholine-2-carbonitrile

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)N1CCOC(C1)C#N
InChI
InChI=1S/C8H14N2O/c1-7(2)10-3-4-11-8(5-9)6-10/h7-8H,3-4,6H2,1-2H3
InChIKey
GNHVUDKGFDMNNR-UHFFFAOYSA-N
Compound name
4-propan-2-ylmorpholine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

154.11061 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 129.0
[M+Na]+ 177.099828 136.7
[M-H]- 153.103334 130.9
[M+NH4]+ 172.144433 145.5
[M+K]+ 193.073768 136.4
[M+H-H2O]+ 137.107870 116.1
[M+HCOO]- 199.108811 143.7
[M+CH3COO]- 213.124461 189.9
[M+Na-2H]- 175.085276 134.1
[M]+ 154.11006142 121.8
[M]- 154.11115858 121.8
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