CID 3045738

61098-53-1

Structural Information

Molecular Formula
C16H23NO
SMILES
CC1C2CCCC1(C(N2C)C)C3=CC(=CC=C3)O
InChI
InChI=1S/C16H23NO/c1-11-15-8-5-9-16(11,12(2)17(15)3)13-6-4-7-14(18)10-13/h4,6-7,10-12,15,18H,5,8-9H2,1-3H3
InChIKey
CFFHIFVCBLNHRE-UHFFFAOYSA-N
Compound name
3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.17796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.3
[M+Na]+ 268.16718 167.1
[M-H]- 244.17068 162.8
[M+NH4]+ 263.21178 180.8
[M+K]+ 284.14112 162.4
[M+H-H2O]+ 228.17522 153.1
[M+HCOO]- 290.17616 175.1
[M+CH3COO]- 304.19181 170.8
[M+Na-2H]- 266.15263 161.4
[M]+ 245.17741 156.8
[M]- 245.17851 156.8
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.