CID 3048034

63870-15-5

Structural Information

Molecular Formula
C14H19NO
SMILES
C[C@@]12CCN([C@H]([C@H]1O)CC3=CC=CC=C23)C
InChI
InChI=1S/C14H19NO/c1-14-7-8-15(2)12(13(14)16)9-10-5-3-4-6-11(10)14/h3-6,12-13,16H,7-9H2,1-2H3/t12-,13+,14-/m0/s1
InChIKey
WUQBEBLBRRXOBM-MJBXVCDLSA-N
Compound name
(1S,9S,13S)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 150.2
[M+Na]+ 240.13589 157.9
[M-H]- 216.13939 151.1
[M+NH4]+ 235.18049 171.7
[M+K]+ 256.10983 153.5
[M+H-H2O]+ 200.14393 143.6
[M+HCOO]- 262.14487 164.0
[M+CH3COO]- 276.16052 161.4
[M+Na-2H]- 238.12134 157.3
[M]+ 217.14612 147.0
[M]- 217.14722 147.0
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.