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 131.1
[M+Na]+ 170.09402 137.4
[M-H]- 146.09752 135.3
[M+NH4]+ 165.13862 146.7
[M+K]+ 186.06796 138.3
[M+H-H2O]+ 130.10206 120.5
[M+HCOO]- 192.10300 152.7
[M+CH3COO]- 206.11865 183.5
[M+Na-2H]- 168.07947 137.3
[M]+ 147.10425 137.9
[M]- 147.10535 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