CID 504545

5326-16-9

Structural Information

Molecular Formula

C₄H₇N₅O₂

SMILES

CCOC(=O)NC1=NNN=N1

InChI

InChI=1S/C4H7N5O2/c1-2-11-4(10)5-3-6-8-9-7-3/h2H2,1H3,(H2,5,6,7,8,9,10)

InChIKey

JWEJAYBSYXYGCE-UHFFFAOYSA-N

Compound name

ethyl N-(2H-tetrazol-5-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 157.05997 Da
Monoisotopic Mass: -0.2
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]+	158.06725	130.5
[M+Na]+	180.04919	138.7
[M-H]-	156.05269	127.8
[M+NH4]+	175.09379	146.6
[M+K]+	196.02313	137.8
[M+H-H2O]+	140.05723	121.9
[M+HCOO]-	202.05817	151.3
[M+CH3COO]-	216.07382	172.6
[M+Na-2H]-	178.03464	137.5
[M]+	157.05942	130.0
[M]-	157.06052	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe