CID 146681833

3h-diazirine-3,3-dipropanoic acid

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.07134	144.7
[M+Na]+	209.05328	154.3
[M-H]-	185.05678	144.3
[M+NH4]+	204.09788	157.4
[M+K]+	225.02722	151.7
[M+H-H2O]+	169.06132	138.9
[M+HCOO]-	231.06226	163.5
[M+CH3COO]-	245.07791	179.5
[M+Na-2H]-	207.03873	150.0
[M]+	186.06351	149.7
[M]-	186.06461	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe