CID 3061046

78593-81-4

Structural Information

Molecular Formula
C11H13NO
SMILES
C1C2C=CC1C3=CN(C=C23)CCO
InChI
InChI=1S/C11H13NO/c13-4-3-12-6-10-8-1-2-9(5-8)11(10)7-12/h1-2,6-9,13H,3-5H2
InChIKey
ZNEBRECBLUONJO-UHFFFAOYSA-N
Compound name
2-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 139.9
[M+Na]+ 198.088938 149.6
[M-H]- 174.092444 142.2
[M+NH4]+ 193.133543 166.4
[M+K]+ 214.062878 146.4
[M+H-H2O]+ 158.096980 135.7
[M+HCOO]- 220.097921 161.6
[M+CH3COO]- 234.113571 153.8
[M+Na-2H]- 196.074386 143.1
[M]+ 175.09917142 141.9
[M]- 175.10026858 141.9
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

No patent data available for this compound.