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]+ 272.20088 167.7
[M+Na]+ 294.18282 173.1
[M-H]- 270.18632 166.4
[M+NH4]+ 289.22742 186.1
[M+K]+ 310.15676 166.9
[M+H-H2O]+ 254.19086 161.0
[M+HCOO]- 316.19180 177.7
[M+CH3COO]- 330.20745 176.4
[M+Na-2H]- 292.16827 171.0
[M]+ 271.19305 162.7
[M]- 271.19415 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.