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 161.1
[M-H]- 246.09964 154.7
[M+NH4]+ 265.14074 166.3
[M+K]+ 286.07008 158.0
[M+H-H2O]+ 230.10418 144.2
[M+HCOO]- 292.10512 173.2
[M+CH3COO]- 306.12077 192.6
[M+Na-2H]- 268.08159 158.4
[M]+ 247.10637 153.7
[M]- 247.10747 153.7
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.