CID 209865

20649-37-0

Structural Information

Molecular Formula
C15H21NO
SMILES
CCC12CCN(C(C1)CC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C15H21NO/c1-3-15-6-7-16(2)12(10-15)8-11-4-5-13(17)9-14(11)15/h4-5,9,12,17H,3,6-8,10H2,1-2H3
InChIKey
HTVYMSXOJZFICF-UHFFFAOYSA-N
Compound name
1-ethyl-10-methyl-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

0
Patents

231.16231 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 154.8
[M+Na]+ 254.15153 162.0
[M-H]- 230.15503 155.5
[M+NH4]+ 249.19613 175.7
[M+K]+ 270.12547 157.4
[M+H-H2O]+ 214.15957 148.0
[M+HCOO]- 276.16051 168.2
[M+CH3COO]- 290.17616 165.6
[M+Na-2H]- 252.13698 161.3
[M]+ 231.16176 151.9
[M]- 231.16286 151.9
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.