CID 31037

Niosh/pb8615000

Structural Information

Molecular Formula
C17H25NO
SMILES
CCC1C2CC3=C(C1(CCN2C)CC)C=C(C=C3)O
InChI
InChI=1S/C17H25NO/c1-4-14-16-10-12-6-7-13(19)11-15(12)17(14,5-2)8-9-18(16)3/h6-7,11,14,16,19H,4-5,8-10H2,1-3H3
InChIKey
JYRBQCWXZNDERM-UHFFFAOYSA-N
Compound name
1,13-diethyl-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

259.1936 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 164.0
[M+Na]+ 282.18282 177.0
[M+NH4]+ 277.22742 175.2
[M+K]+ 298.15676 166.6
[M-H]- 258.18632 166.3
[M+Na-2H]- 280.16827 168.1
[M]+ 259.19305 166.8
[M]- 259.19415 166.8
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.