CID 379846

Nsc664978

Structural Information

Molecular Formula
C18H25NO
SMILES
CC1C2CC3=C(C1(CCN2)C(C)CC=C)C=C(C=C3)O
InChI
InChI=1S/C18H25NO/c1-4-5-12(2)18-8-9-19-17(13(18)3)10-14-6-7-15(20)11-16(14)18/h4,6-7,11-13,17,19-20H,1,5,8-10H2,2-3H3
InChIKey
FFZIDAYPZLTCSZ-UHFFFAOYSA-N
Compound name
13-methyl-1-pent-4-en-2-yl-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

271.1936 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 167.7
[M+Na]+ 294.182818 173.1
[M-H]- 270.186324 166.4
[M+NH4]+ 289.227423 186.1
[M+K]+ 310.156758 166.9
[M+H-H2O]+ 254.190860 161.0
[M+HCOO]- 316.191801 177.7
[M+CH3COO]- 330.207451 176.4
[M+Na-2H]- 292.168266 171.0
[M]+ 271.19305142 162.7
[M]- 271.19414858 162.7
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.