CID 14966670

1-benzyl-3-methylidenepiperidine

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]+ 188.143376 142.9
[M+Na]+ 210.125318 148.1
[M-H]- 186.128824 147.2
[M+NH4]+ 205.169923 160.9
[M+K]+ 226.099258 144.4
[M+H-H2O]+ 170.133360 135.1
[M+HCOO]- 232.134301 162.2
[M+CH3COO]- 246.149951 183.0
[M+Na-2H]- 208.110766 147.8
[M]+ 187.13555142 137.4
[M]- 187.13664858 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