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

7
Patents

154.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 131.5
[M+Na]+ 177.09983 139.3
[M-H]- 153.10333 131.9
[M+NH4]+ 172.14443 150.3
[M+K]+ 193.07377 136.4
[M+H-H2O]+ 137.10787 119.6
[M+HCOO]- 199.10881 146.7
[M+CH3COO]- 213.12446 185.4
[M+Na-2H]- 175.08528 138.0
[M]+ 154.11006 122.8
[M]- 154.11116 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