CID 199132

Dtxsid00958471

Structural Information

Molecular Formula
C16H21NO
SMILES
C1CCC23CCCN(C2C1)CC4=C3C=C(C=C4)O
InChI
InChI=1S/C16H21NO/c18-13-6-5-12-11-17-9-3-8-16(14(12)10-13)7-2-1-4-15(16)17/h5-6,10,15,18H,1-4,7-9,11H2
InChIKey
ATHVNJFKLXGUAG-UHFFFAOYSA-N
Compound name
9-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 157.0
[M+Na]+ 266.151528 161.5
[M-H]- 242.155034 159.1
[M+NH4]+ 261.196133 176.5
[M+K]+ 282.125468 156.4
[M+H-H2O]+ 226.159570 148.1
[M+HCOO]- 288.160511 167.8
[M+CH3COO]- 302.176161 166.4
[M+Na-2H]- 264.136976 162.9
[M]+ 243.16176142 148.9
[M]- 243.16285858 148.9
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.