CID 15553738

84731-76-0

Structural Information

Molecular Formula
C15H21NO
SMILES
CC1(C2CCC1(C(C2)(C3=CC=CC=N3)O)C)C
InChI
InChI=1S/C15H21NO/c1-13(2)11-7-8-14(13,3)15(17,10-11)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3
InChIKey
WUPYCTDTAKFJQT-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

231.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 153.8
[M+Na]+ 254.151528 163.4
[M-H]- 230.155034 158.2
[M+NH4]+ 249.196133 181.2
[M+K]+ 270.125468 158.9
[M+H-H2O]+ 214.159570 148.8
[M+HCOO]- 276.160511 172.4
[M+CH3COO]- 290.176161 166.7
[M+Na-2H]- 252.136976 158.6
[M]+ 231.16176142 153.4
[M]- 231.16285858 153.4
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