CID 229279

15029-32-0

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1COCCN1C(=O)CC#N
InChI
InChI=1S/C7H10N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2
InChIKey
AUZPMUJGZZSMCP-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

277
Patents

154.07423 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 127.7
[M+Na]+ 177.063448 135.2
[M-H]- 153.066954 129.4
[M+NH4]+ 172.108053 143.8
[M+K]+ 193.037388 135.0
[M+H-H2O]+ 137.071490 114.6
[M+HCOO]- 199.072431 143.0
[M+CH3COO]- 213.088081 186.6
[M+Na-2H]- 175.048896 133.8
[M]+ 154.07368142 120.4
[M]- 154.07477858 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe