CID 84653999

2377032-05-6

Structural Information

Molecular Formula
C5H9N5O2
SMILES
CN1N=C(N=N1)CC(C(=O)O)N
InChI
InChI=1S/C5H9N5O2/c1-10-8-4(7-9-10)2-3(6)5(11)12/h3H,2,6H2,1H3,(H,11,12)
InChIKey
KPLDEWICBOIBAF-UHFFFAOYSA-N
Compound name
2-amino-3-(2-methyltetrazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

171.07562 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.08290 135.3
[M+Na]+ 194.06484 143.7
[M-H]- 170.06834 132.5
[M+NH4]+ 189.10944 150.8
[M+K]+ 210.03878 142.6
[M+H-H2O]+ 154.07288 127.0
[M+HCOO]- 216.07382 154.2
[M+CH3COO]- 230.08947 178.5
[M+Na-2H]- 192.05029 138.9
[M]+ 171.07507 134.2
[M]- 171.07617 134.2
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.