CID 146681833

16297-98-6

Structural Information

Molecular Formula
C7H10N2O4
SMILES
C(CC1(N=N1)CCC(=O)O)C(=O)O
InChI
InChI=1S/C7H10N2O4/c10-5(11)1-3-7(8-9-7)4-2-6(12)13/h1-4H2,(H,10,11)(H,12,13)
InChIKey
LKAGNZVMUBAGEA-UHFFFAOYSA-N
Compound name
3-[3-(2-carboxyethyl)diazirin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.06406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.071336 144.7
[M+Na]+ 209.053278 154.3
[M-H]- 185.056784 144.3
[M+NH4]+ 204.097883 157.4
[M+K]+ 225.027218 151.7
[M+H-H2O]+ 169.061320 138.9
[M+HCOO]- 231.062261 163.5
[M+CH3COO]- 245.077911 179.5
[M+Na-2H]- 207.038726 150.0
[M]+ 186.06351142 149.7
[M]- 186.06460858 149.7
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

patents stripe