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]+ 176.10700 139.9
[M+Na]+ 198.08894 149.6
[M-H]- 174.09244 142.2
[M+NH4]+ 193.13354 166.4
[M+K]+ 214.06288 146.4
[M+H-H2O]+ 158.09698 135.7
[M+HCOO]- 220.09792 161.6
[M+CH3COO]- 234.11357 153.8
[M+Na-2H]- 196.07439 143.1
[M]+ 175.09917 141.9
[M]- 175.10027 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.