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]+ 155.11789 129.0
[M+Na]+ 177.09983 136.7
[M-H]- 153.10333 130.9
[M+NH4]+ 172.14443 145.5
[M+K]+ 193.07377 136.4
[M+H-H2O]+ 137.10787 116.1
[M+HCOO]- 199.10881 143.7
[M+CH3COO]- 213.12446 189.9
[M+Na-2H]- 175.08528 134.1
[M]+ 154.11006 121.8
[M]- 154.11116 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