CID 85929

15891-46-0

Structural Information

Molecular Formula
C17H21NO
SMILES
CC1C2CC3=C(C1(CCN2CC#C)C)C=C(C=C3)O
InChI
InChI=1S/C17H21NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h1,5-6,11-12,16,19H,7-10H2,2-3H3
InChIKey
DXRSDIZZXLDAAH-UHFFFAOYSA-N
Compound name
1,13-dimethyl-10-prop-2-ynyl-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

255.16231 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 162.0
[M+Na]+ 278.15153 173.1
[M-H]- 254.15503 161.7
[M+NH4]+ 273.19613 180.1
[M+K]+ 294.12547 163.1
[M+H-H2O]+ 238.15957 150.0
[M+HCOO]- 300.16051 170.3
[M+CH3COO]- 314.17616 171.1
[M+Na-2H]- 276.13698 165.9
[M]+ 255.16176 154.6
[M]- 255.16286 154.6
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.