CID 280927

21744-57-0

Structural Information

Molecular Formula

C₅H₉N₅O₂

SMILES

CCOC(=O)CN1C(=NN=N1)N

InChI

InChI=1S/C5H9N5O2/c1-2-12-4(11)3-10-5(6)7-8-9-10/h2-3H2,1H3,(H2,6,7,9)

InChIKey

YVKHCKBSEQKYNO-UHFFFAOYSA-N

Compound name

ethyl 2-(5-aminotetrazol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 171.07562 Da
Monoisotopic Mass: -0.4
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]+	172.08290	134.5
[M+Na]+	194.06484	143.6
[M-H]-	170.06834	132.9
[M+NH4]+	189.10944	150.7
[M+K]+	210.03878	142.9
[M+H-H2O]+	154.07288	125.8
[M+HCOO]-	216.07382	155.9
[M+CH3COO]-	230.08947	179.3
[M+Na-2H]-	192.05029	139.7
[M]+	171.07507	135.7
[M]-	171.07617	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe