CID 100613725

4-(methoxymethyl)piperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C8H14N2O
SMILES
COCC1(CCNCC1)C#N
InChI
InChI=1S/C8H14N2O/c1-11-7-8(6-9)2-4-10-5-3-8/h10H,2-5,7H2,1H3
InChIKey
YLGCAMZCTKVCRL-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

154.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 131.5
[M+Na]+ 177.099828 139.3
[M-H]- 153.103334 131.9
[M+NH4]+ 172.144433 150.3
[M+K]+ 193.073768 136.4
[M+H-H2O]+ 137.107870 119.6
[M+HCOO]- 199.108811 146.7
[M+CH3COO]- 213.124461 185.4
[M+Na-2H]- 175.085276 138.0
[M]+ 154.11006142 122.8
[M]- 154.11115858 122.8
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