CID 3064352

4-piperidinol, 1-((2-phenylcyclopropyl)methyl)-, (e)-

Structural Information

Molecular Formula
C15H21NO
SMILES
C1CN(CCC1O)C[C@@H]2C[C@H]2C3=CC=CC=C3
InChI
InChI=1S/C15H21NO/c17-14-6-8-16(9-7-14)11-13-10-15(13)12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2/t13-,15-/m0/s1
InChIKey
RZEBNILYVJEAOU-ZFWWWQNUSA-N
Compound name
1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 153.9
[M+Na]+ 254.15153 160.5
[M-H]- 230.15503 160.7
[M+NH4]+ 249.19613 164.9
[M+K]+ 270.12547 156.0
[M+H-H2O]+ 214.15957 145.6
[M+HCOO]- 276.16051 172.0
[M+CH3COO]- 290.17616 164.5
[M+Na-2H]- 252.13698 157.1
[M]+ 231.16176 151.1
[M]- 231.16286 151.1
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.