CID 70558

1-benzyl-4-(ethylamino)piperidine-4-carbonitrile

Structural Information

Molecular Formula
C15H21N3
SMILES
CCNC1(CCN(CC1)CC2=CC=CC=C2)C#N
InChI
InChI=1S/C15H21N3/c1-2-17-15(13-16)8-10-18(11-9-15)12-14-6-4-3-5-7-14/h3-7,17H,2,8-12H2,1H3
InChIKey
NPYMJCBIPUSGQF-UHFFFAOYSA-N
Compound name
1-benzyl-4-(ethylamino)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

66
Patents

243.17355 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.18083 157.7
[M+Na]+ 266.16277 164.7
[M-H]- 242.16627 160.9
[M+NH4]+ 261.20737 173.2
[M+K]+ 282.13671 158.8
[M+H-H2O]+ 226.17081 143.2
[M+HCOO]- 288.17175 173.8
[M+CH3COO]- 302.18740 206.2
[M+Na-2H]- 264.14822 162.5
[M]+ 243.17300 148.6
[M]- 243.17410 148.6
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