CID 3042090

Niosh/pb9083000

Structural Information

Molecular Formula
C15H21NO
SMILES
C[C@@]12CCN(C[C@@H](C1)CC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C15H21NO/c1-15-5-6-16(2)10-11(9-15)7-12-3-4-13(17)8-14(12)15/h3-4,8,11,17H,5-7,9-10H2,1-2H3/t11-,15-/m1/s1
InChIKey
ZOWQTJXNFTWSCS-IAQYHMDHSA-N
Compound name
(1S,9S)-1,11-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

8572
Patents

231.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 149.4
[M+Na]+ 254.15153 160.1
[M+NH4]+ 249.19613 159.7
[M+K]+ 270.12547 152.6
[M-H]- 230.15503 151.2
[M+Na-2H]- 252.13698 154.2
[M]+ 231.16176 151.6
[M]- 231.16286 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe