CID 138039409

2-[(2-cyclopropylphenyl)methyl]piperidine

Structural Information

Molecular Formula
C15H21N
SMILES
C1CCNC(C1)CC2=CC=CC=C2C3CC3
InChI
InChI=1S/C15H21N/c1-2-7-15(12-8-9-12)13(5-1)11-14-6-3-4-10-16-14/h1-2,5,7,12,14,16H,3-4,6,8-11H2
InChIKey
WRXUPQOJTMDJGD-UHFFFAOYSA-N
Compound name
2-[(2-cyclopropylphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 149.8
[M+Na]+ 238.15662 155.5
[M-H]- 214.16012 156.2
[M+NH4]+ 233.20122 161.2
[M+K]+ 254.13056 150.8
[M+H-H2O]+ 198.16466 141.4
[M+HCOO]- 260.16560 167.7
[M+CH3COO]- 274.18125 160.2
[M+Na-2H]- 236.14207 153.8
[M]+ 215.16685 145.2
[M]- 215.16795 145.2
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.