CID 39732345

1212174-51-0

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	126.7
[M+Na]+	165.03829	135.5
[M-H]-	141.04179	124.1
[M+NH4]+	160.08289	143.6
[M+K]+	181.01223	135.1
[M+H-H2O]+	125.04633	118.7
[M+HCOO]-	187.04727	145.5
[M+CH3COO]-	201.06292	170.0
[M+Na-2H]-	163.02374	132.1
[M]+	142.04852	126.6
[M]-	142.04962	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe