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]+ 148.112076 131.1
[M+Na]+ 170.094018 137.4
[M-H]- 146.097524 135.3
[M+NH4]+ 165.138623 146.7
[M+K]+ 186.067958 138.3
[M+H-H2O]+ 130.102060 120.5
[M+HCOO]- 192.103001 152.7
[M+CH3COO]- 206.118651 183.5
[M+Na-2H]- 168.079466 137.3
[M]+ 147.10425142 137.9
[M]- 147.10534858 137.9
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

patents stripe