CID 873610

115704-83-1

Structural Information

Molecular Formula
C16H23NO
SMILES
CC1(CCN2CCC(C3=C(C=CC1=C32)O)(C)C)C
InChI
InChI=1S/C16H23NO/c1-15(2)7-9-17-10-8-16(3,4)13-12(18)6-5-11(15)14(13)17/h5-6,18H,7-10H2,1-4H3
InChIKey
RBFKOHMQYNQBAR-UHFFFAOYSA-N
Compound name
4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

79
Patents

245.17796 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 158.9
[M+Na]+ 268.16718 167.3
[M-H]- 244.17068 160.8
[M+NH4]+ 263.21178 181.3
[M+K]+ 284.14112 163.0
[M+H-H2O]+ 228.17522 152.2
[M+HCOO]- 290.17616 172.3
[M+CH3COO]- 304.19181 170.1
[M+Na-2H]- 266.15263 164.8
[M]+ 245.17741 157.2
[M]- 245.17851 157.2
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