CID 3902378

21743-72-6

Structural Information

Molecular Formula

C₃H₅N₅O₂

SMILES

C(C(=O)O)N1N=C(N=N1)N

InChI

InChI=1S/C3H5N5O2/c4-3-5-7-8(6-3)1-2(9)10/h1H2,(H2,4,6)(H,9,10)

InChIKey

UEADUMUDFLTHOI-UHFFFAOYSA-N

Compound name

2-(5-aminotetrazol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 143.04433 Da
Monoisotopic Mass: -0.5
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]+	144.05161	126.1
[M+Na]+	166.03355	135.6
[M-H]-	142.03705	123.5
[M+NH4]+	161.07815	142.7
[M+K]+	182.00749	134.5
[M+H-H2O]+	126.04159	118.1
[M+HCOO]-	188.04253	146.6
[M+CH3COO]-	202.05818	171.5
[M+Na-2H]-	164.01900	131.9
[M]+	143.04378	124.8
[M]-	143.04488	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe