CID 3071403

Brn 5444210

Structural Information

Molecular Formula
C13H16N4O2
SMILES
COC1=C(C=C2C(CCC2=C1)CC3=NNN=N3)OC
InChI
InChI=1S/C13H16N4O2/c1-18-11-5-8-3-4-9(6-13-14-16-17-15-13)10(8)7-12(11)19-2/h5,7,9H,3-4,6H2,1-2H3,(H,14,15,16,17)
InChIKey
OWPUDTSJGXIHKB-UHFFFAOYSA-N
Compound name
5-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 159.2
[M+Na]+ 283.11654 168.4
[M-H]- 259.12004 160.9
[M+NH4]+ 278.16114 174.6
[M+K]+ 299.09048 164.6
[M+H-H2O]+ 243.12458 150.0
[M+HCOO]- 305.12552 177.4
[M+CH3COO]- 319.14117 170.4
[M+Na-2H]- 281.10199 161.2
[M]+ 260.12677 161.1
[M]- 260.12787 161.1
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.