CID 39732345

(2s)-2-(1h-tetrazol-1-yl)propanoic acid

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

C[C@@H](C(=O)O)N1C=NN=N1

InChI

InChI=1S/C4H6N4O2/c1-3(4(9)10)8-2-5-6-7-8/h2-3H,1H3,(H,9,10)/t3-/m0/s1

InChIKey

ZFQPVPQCMQGGHT-VKHMYHEASA-N

Compound name

(2S)-2-(tetrazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 142.04907 Da
Monoisotopic Mass: -0.3
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]+	143.05635	127.3
[M+Na]+	165.03829	137.0
[M+NH4]+	160.08289	132.5
[M+K]+	181.01223	136.4
[M-H]-	141.04179	124.1
[M+Na-2H]-	163.02374	131.1
[M]+	142.04852	127.2
[M]-	142.04962	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe