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

73
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.