CID 10773596

1203602-91-8

Structural Information

Molecular Formula
C12H17N
SMILES
C[C@@H]1CCC[C@@H](N1)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3/t10-,12-/m1/s1
InChIKey
JYJBTYOECUQNLE-ZYHUDNBSSA-N
Compound name
(2R,6R)-2-methyl-6-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.1
[M+Na]+ 198.12532 145.1
[M-H]- 174.12882 143.2
[M+NH4]+ 193.16992 158.0
[M+K]+ 214.09926 141.2
[M+H-H2O]+ 158.13336 132.8
[M+HCOO]- 220.13430 158.1
[M+CH3COO]- 234.14995 151.6
[M+Na-2H]- 196.11077 145.2
[M]+ 175.13555 133.2
[M]- 175.13665 133.2
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