CID 3049773

4-methyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1h-4-benzazonine hydrobromide

Structural Information

Molecular Formula
C14H19NO
SMILES
CN1CCC2CC(C1)CC3=C2C=C(C=C3)O
InChI
InChI=1S/C14H19NO/c1-15-5-4-12-7-10(9-15)6-11-2-3-13(16)8-14(11)12/h2-3,8,10,12,16H,4-7,9H2,1H3
InChIKey
HPNLYVACULLUHJ-UHFFFAOYSA-N
Compound name
11-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 146.6
[M+Na]+ 240.13589 152.4
[M-H]- 216.13939 148.9
[M+NH4]+ 235.18049 165.2
[M+K]+ 256.10983 151.7
[M+H-H2O]+ 200.14393 141.7
[M+HCOO]- 262.14487 160.6
[M+CH3COO]- 276.16052 157.4
[M+Na-2H]- 238.12134 152.7
[M]+ 217.14612 140.6
[M]- 217.14722 140.6
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

patents stripe