CID 92510

56711-09-2

Structural Information

Molecular Formula
C16H23NO
SMILES
CC[C@]12CCN([C@H](C1C)CC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C16H23NO/c1-4-16-7-8-17(3)15(11(16)2)9-12-5-6-13(18)10-14(12)16/h5-6,10-11,15,18H,4,7-9H2,1-3H3/t11?,15-,16-/m0/s1
InChIKey
QGWPXULEDXWEKR-BPWRPNSKSA-N
Compound name
(1S,9S)-1-ethyl-10,13-dimethyl-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

245.17796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.2
[M+Na]+ 268.16718 166.9
[M-H]- 244.17068 160.1
[M+NH4]+ 263.21178 179.9
[M+K]+ 284.14112 162.2
[M+H-H2O]+ 228.17522 152.5
[M+HCOO]- 290.17616 172.3
[M+CH3COO]- 304.19181 169.9
[M+Na-2H]- 266.15263 164.5
[M]+ 245.17741 157.1
[M]- 245.17851 157.1
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.