CID 94829

1h-tetrazole, 5-guanidino-

Structural Information

Molecular Formula

C₂H₅N₇

SMILES

C1(=NNN=N1)N=C(N)N

InChI

InChI=1S/C2H5N7/c3-1(4)5-2-6-8-9-7-2/h(H5,3,4,5,6,7,8,9)

InChIKey

IPZQGRLGQRWVRV-UHFFFAOYSA-N

Compound name

2-(2H-tetrazol-5-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 127.060646 Da
Monoisotopic Mass: -1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	128.06792	121.6
[M+Na]+	150.04986	129.5
[M-H]-	126.05337	119.8
[M+NH4]+	145.09447	138.4
[M+K]+	166.02380	128.2
[M+H-H2O]+	110.05791	112.5
[M+HCOO]-	172.05885	145.0
[M+CH3COO]-	186.07450	174.6
[M+Na-2H]-	148.03531	129.3
[M]+	127.06010	116.2
[M]-	127.06119	116.2

Literature stripe

literature stripe

Patent stripe

patents stripe