CID 3048032

63870-14-4

Structural Information

Molecular Formula
C18H25NO
SMILES
CC1C2CC3=C(C1(CCN2CC(=C)C)C)C=C(C=C3)O
InChI
InChI=1S/C18H25NO/c1-12(2)11-19-8-7-18(4)13(3)17(19)9-14-5-6-15(20)10-16(14)18/h5-6,10,13,17,20H,1,7-9,11H2,2-4H3
InChIKey
CSPZKFRVDSYDAP-UHFFFAOYSA-N
Compound name
1,13-dimethyl-10-(2-methylprop-2-enyl)-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

1
Patents

271.1936 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 166.9
[M+Na]+ 294.18282 173.6
[M-H]- 270.18632 167.3
[M+NH4]+ 289.22742 186.3
[M+K]+ 310.15676 168.3
[M+H-H2O]+ 254.19086 160.1
[M+HCOO]- 316.19180 178.3
[M+CH3COO]- 330.20745 202.5
[M+Na-2H]- 292.16827 170.0
[M]+ 271.19305 164.1
[M]- 271.19415 164.1
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

patents stripe