CID 12015378

3-[(1h-1,2,3,4-tetrazol-5-yl)methyl]-1h-indole

Structural Information

Molecular Formula
C10H9N5
SMILES
C1=CC=C2C(=C1)C(=CN2)CC3=NNN=N3
InChI
InChI=1S/C10H9N5/c1-2-4-9-8(3-1)7(6-11-9)5-10-12-14-15-13-10/h1-4,6,11H,5H2,(H,12,13,14,15)
InChIKey
MJTYMRKMNLLKEA-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

199.0858 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09308 141.0
[M+Na]+ 222.07502 151.8
[M-H]- 198.07852 140.6
[M+NH4]+ 217.11962 156.6
[M+K]+ 238.04896 146.2
[M+H-H2O]+ 182.08306 131.6
[M+HCOO]- 244.08400 159.9
[M+CH3COO]- 258.09965 152.9
[M+Na-2H]- 220.06047 147.5
[M]+ 199.08525 140.0
[M]- 199.08635 140.0
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