CID 36381

33226-57-2

Structural Information

Molecular Formula
C18H19NO
SMILES
C1C2C3C4C1C5C2C6C3C4C5(N6CC7=CC=CC=C7)O
InChI
InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
InChIKey
YSEXVIPNIGQQMN-UHFFFAOYSA-N
Compound name
5-benzyl-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

265.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 157.9
[M+Na]+ 288.13589 161.9
[M-H]- 264.13939 163.3
[M+NH4]+ 283.18049 183.9
[M+K]+ 304.10983 160.2
[M+H-H2O]+ 248.14393 154.2
[M+HCOO]- 310.14487 169.5
[M+CH3COO]- 324.16052 168.3
[M+Na-2H]- 286.12134 154.4
[M]+ 265.14612 173.9
[M]- 265.14722 173.9
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

No patent data available for this compound.