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]+ 272.200876 166.9
[M+Na]+ 294.182818 173.6
[M-H]- 270.186324 167.3
[M+NH4]+ 289.227423 186.3
[M+K]+ 310.156758 168.3
[M+H-H2O]+ 254.190860 160.1
[M+HCOO]- 316.191801 178.3
[M+CH3COO]- 330.207451 202.5
[M+Na-2H]- 292.168266 170.0
[M]+ 271.19305142 164.1
[M]- 271.19414858 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