CID 377645

9-hydroxyjulolidine

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)O
InChI
InChI=1S/C12H15NO/c14-11-7-9-3-1-5-13-6-2-4-10(8-11)12(9)13/h7-8,14H,1-6H2
InChIKey
WOHOVDCGGWSZAN-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

189.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 140.5
[M+Na]+ 212.104588 146.7
[M-H]- 188.108094 141.7
[M+NH4]+ 207.149193 160.4
[M+K]+ 228.078528 142.8
[M+H-H2O]+ 172.112630 133.6
[M+HCOO]- 234.113571 155.4
[M+CH3COO]- 248.129221 151.9
[M+Na-2H]- 210.090036 148.0
[M]+ 189.11482142 135.9
[M]- 189.11591858 135.9
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

patents stripe