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]+ 244.16959 157.0
[M+Na]+ 266.15153 161.5
[M-H]- 242.15503 159.1
[M+NH4]+ 261.19613 176.5
[M+K]+ 282.12547 156.4
[M+H-H2O]+ 226.15957 148.1
[M+HCOO]- 288.16051 167.8
[M+CH3COO]- 302.17616 166.4
[M+Na-2H]- 264.13698 162.9
[M]+ 243.16176 148.9
[M]- 243.16286 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.