CID 55288707

1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}ethan-1-amine

Structural Information

Molecular Formula
C10H13N
SMILES
CC(C1CC2=CC=CC=C12)N
InChI
InChI=1S/C10H13N/c1-7(11)10-6-8-4-2-3-5-9(8)10/h2-5,7,10H,6,11H2,1H3
InChIKey
DPONYGSKPPXYQJ-UHFFFAOYSA-N
Compound name
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 129.9
[M+Na]+ 170.09402 137.6
[M+NH4]+ 165.13862 135.9
[M+K]+ 186.06796 133.1
[M-H]- 146.09752 130.5
[M+Na-2H]- 168.07947 133.9
[M]+ 147.10425 130.0
[M]- 147.10535 130.0
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.