CID 120907

1763-03-7

Structural Information

Molecular Formula
C16H23NO
SMILES
CCCC12CCN(C(C1)CC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C16H23NO/c1-3-6-16-7-8-17(2)13(11-16)9-12-4-5-14(18)10-15(12)16/h4-5,10,13,18H,3,6-9,11H2,1-2H3
InChIKey
DCCDZLIMIHPDIQ-UHFFFAOYSA-N
Compound name
10-methyl-1-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

245.17796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.9
[M+Na]+ 268.16718 172.7
[M+NH4]+ 263.21178 171.2
[M+K]+ 284.14112 162.3
[M-H]- 244.17068 162.2
[M+Na-2H]- 266.15263 164.4
[M]+ 245.17741 162.6
[M]- 245.17851 162.6
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