CID 95056

5233-54-5

Structural Information

Molecular Formula
C12H15NO
SMILES
CN1CCC(=CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3
InChIKey
GIGCUVKCMPXMAZ-UHFFFAOYSA-N
Compound name
4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

189.11537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 142.4
[M+Na]+ 212.10459 156.5
[M+NH4]+ 207.14919 151.6
[M+K]+ 228.07853 149.0
[M-H]- 188.10809 146.5
[M+Na-2H]- 210.09004 151.0
[M]+ 189.11482 145.6
[M]- 189.11592 145.6
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