CID 199132

3737-01-7

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]+ 244.16959 159.2
[M+Na]+ 266.15153 171.9
[M+NH4]+ 261.19613 171.4
[M+K]+ 282.12547 161.3
[M-H]- 242.15503 163.2
[M+Na-2H]- 264.13698 164.8
[M]+ 243.16176 162.3
[M]- 243.16286 162.3
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.