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 143.8
[M-H]- 174.09244 141.3
[M+NH4]+ 193.13354 159.8
[M+K]+ 214.06288 141.5
[M+H-H2O]+ 158.09698 131.1
[M+HCOO]- 220.09792 157.5
[M+CH3COO]- 234.11357 149.6
[M+Na-2H]- 196.07439 140.5
[M]+ 175.09917 133.6
[M]- 175.10027 133.6
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.