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 136.4
[M+Na]+ 164.04305 146.9
[M-H]- 140.04655 136.7
[M+NH4]+ 159.08765 151.5
[M+K]+ 180.01699 143.6
[M+H-H2O]+ 124.05109 130.0
[M+HCOO]- 186.05203 154.2
[M+CH3COO]- 200.06768 169.3
[M+Na-2H]- 162.02850 142.0
[M]+ 141.05328 135.7
[M]- 141.05438 135.7
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.