CID 5361171

53758-00-2

Structural Information

Molecular Formula
C15H19NO
SMILES
CN1C2CCC1[C@H]3CC4=C([C@H]3C2)C=C(C=C4)O
InChI
InChI=1S/C15H19NO/c1-16-10-3-5-15(16)14-6-9-2-4-11(17)8-12(9)13(14)7-10/h2,4,8,10,13-15,17H,3,5-7H2,1H3/t10?,13-,14+,15?/m1/s1
InChIKey
IIIZMOHSGDPBML-MULWJCLTSA-N
Compound name
(2S,10S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 153.4
[M+Na]+ 252.13589 161.6
[M-H]- 228.13939 155.6
[M+NH4]+ 247.18049 177.2
[M+K]+ 268.10983 156.3
[M+H-H2O]+ 212.14393 148.2
[M+HCOO]- 274.14487 168.3
[M+CH3COO]- 288.16052 165.1
[M+Na-2H]- 250.12134 155.3
[M]+ 229.14612 151.1
[M]- 229.14722 151.1
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

No patent data available for this compound.