CID 423512

(3,4-dimethoxy-bicyclo(4.2.0)octa-1,3,5-trien-7-yl)-methylamine

Structural Information

Molecular Formula
C11H15NO2
SMILES
COC1=C(C=C2C(CC2=C1)CN)OC
InChI
InChI=1S/C11H15NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3,6,12H2,1-2H3
InChIKey
JDZSBHBIJDIACW-UHFFFAOYSA-N
Compound name
(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

193.11028 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 140.0
[M+Na]+ 216.099498 147.6
[M-H]- 192.103004 144.5
[M+NH4]+ 211.144103 154.3
[M+K]+ 232.073438 148.9
[M+H-H2O]+ 176.107540 129.1
[M+HCOO]- 238.108481 162.6
[M+CH3COO]- 252.124131 191.9
[M+Na-2H]- 214.084946 145.5
[M]+ 193.10973142 151.3
[M]- 193.11082858 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe