CID 130662990

2421187-90-6

Structural Information

Molecular Formula
C5H7N3O2
SMILES
C1[C@H](NCC12N=N2)C(=O)O
InChI
InChI=1S/C5H7N3O2/c9-4(10)3-1-5(2-6-3)7-8-5/h3,6H,1-2H2,(H,9,10)/t3-/m0/s1
InChIKey
HTLUZICRDFRIGH-VKHMYHEASA-N
Compound name
(5S)-1,2,6-triazaspiro[2.4]hept-1-ene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.05383 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 133.6
[M+Na]+ 164.04305 144.5
[M+NH4]+ 159.08765 141.9
[M+K]+ 180.01699 142.2
[M-H]- 140.04655 139.0
[M+Na-2H]- 162.02850 140.9
[M]+ 141.05328 137.6
[M]- 141.05438 137.6
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.