CID 39732347

(2s)-3-methyl-2-(1h-tetrazol-1-yl)butanoic acid

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CC(C)[C@@H](C(=O)O)N1C=NN=N1
InChI
InChI=1S/C6H10N4O2/c1-4(2)5(6(11)12)10-3-7-8-9-10/h3-5H,1-2H3,(H,11,12)/t5-/m0/s1
InChIKey
IUNVOZGHQBIRHE-YFKPBYRVSA-N
Compound name
(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08037 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 135.6
[M+Na]+ 193.06959 144.6
[M+NH4]+ 188.11419 140.4
[M+K]+ 209.04353 144.4
[M-H]- 169.07309 132.2
[M+Na-2H]- 191.05504 138.7
[M]+ 170.07982 135.4
[M]- 170.08092 135.4
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.