CID 3071402

Brn 5439133

Structural Information

Molecular Formula
C12H14N4O
SMILES
COC1=CC2=C(CCC2CC3=NNN=N3)C=C1
InChI
InChI=1S/C12H14N4O/c1-17-10-5-4-8-2-3-9(11(8)7-10)6-12-13-15-16-14-12/h4-5,7,9H,2-3,6H2,1H3,(H,13,14,15,16)
InChIKey
LRRTVCHHCMDINI-UHFFFAOYSA-N
Compound name
5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 151.5
[M+Na]+ 253.10598 160.5
[M-H]- 229.10948 153.0
[M+NH4]+ 248.15058 167.9
[M+K]+ 269.07992 156.3
[M+H-H2O]+ 213.11402 142.2
[M+HCOO]- 275.11496 169.9
[M+CH3COO]- 289.13061 163.0
[M+Na-2H]- 251.09143 154.7
[M]+ 230.11621 151.3
[M]- 230.11731 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.