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]+ 261.134596 159.2
[M+Na]+ 283.116538 168.4
[M-H]- 259.120044 160.9
[M+NH4]+ 278.161143 174.6
[M+K]+ 299.090478 164.6
[M+H-H2O]+ 243.124580 150.0
[M+HCOO]- 305.125521 177.4
[M+CH3COO]- 319.141171 170.4
[M+Na-2H]- 281.101986 161.2
[M]+ 260.12677142 161.1
[M]- 260.12786858 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.