CID 14966670

1-benzyl-3-methylenepiperidine

Structural Information

Molecular Formula
C13H17N
SMILES
C=C1CCCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H17N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2
InChIKey
KWYKOAQRNDVMBU-UHFFFAOYSA-N
Compound name
1-benzyl-3-methylidenepiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

187.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 142.9
[M+Na]+ 210.12532 148.1
[M-H]- 186.12882 147.2
[M+NH4]+ 205.16992 160.9
[M+K]+ 226.09926 144.4
[M+H-H2O]+ 170.13336 135.1
[M+HCOO]- 232.13430 162.2
[M+CH3COO]- 246.14995 183.0
[M+Na-2H]- 208.11077 147.8
[M]+ 187.13555 137.4
[M]- 187.13665 137.4
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