CID 129970040

2731013-76-4

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CC2=C(C1N)C3=C(C=C2)OCC3
InChI
InChI=1S/C11H13NO/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h2,4,9H,1,3,5-6,12H2
InChIKey
CVYMQJCVLWAMMZ-UHFFFAOYSA-N
Compound name
2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 135.5
[M+Na]+ 198.08894 146.2
[M+NH4]+ 193.13354 146.0
[M+K]+ 214.06288 143.7
[M-H]- 174.09244 139.9
[M+Na-2H]- 196.07439 139.0
[M]+ 175.09917 138.1
[M]- 175.10027 138.1
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.