CID 43470138

2-[(1-phenyl-1h-1,2,3,4-tetrazol-5-yl)amino]butanoic acid

Structural Information

Molecular Formula
C11H13N5O2
SMILES
CCC(C(=O)O)NC1=NN=NN1C2=CC=CC=C2
InChI
InChI=1S/C11H13N5O2/c1-2-9(10(17)18)12-11-13-14-15-16(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,17,18)(H,12,13,15)
InChIKey
JYCXIIPTSPNNAL-UHFFFAOYSA-N
Compound name
2-[(1-phenyltetrazol-5-yl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10692 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 154.2
[M+Na]+ 270.09614 164.6
[M+NH4]+ 265.14074 159.0
[M+K]+ 286.07008 162.7
[M-H]- 246.09964 154.1
[M+Na-2H]- 268.08159 160.2
[M]+ 247.10637 155.1
[M]- 247.10747 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.