CID 13405698

Phenyl(1h-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H9N5
SMILES
C1=CC=C(C=C1)C(C2=NNN=N2)N
InChI
InChI=1S/C8H9N5/c9-7(8-10-12-13-11-8)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11,12,13)
InChIKey
BVBOWMSUTQPATP-UHFFFAOYSA-N
Compound name
phenyl(2H-tetrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

175.0858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 135.7
[M+Na]+ 198.07502 143.4
[M-H]- 174.07852 135.6
[M+NH4]+ 193.11962 150.5
[M+K]+ 214.04896 139.6
[M+H-H2O]+ 158.08306 126.1
[M+HCOO]- 220.08400 155.5
[M+CH3COO]- 234.09965 147.2
[M+Na-2H]- 196.06047 142.3
[M]+ 175.08525 131.4
[M]- 175.08635 131.4
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