CID 55300184

4-(3-methyl-3h-diazirin-3-yl)butanoic acid

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CC1(N=N1)CCCC(=O)O

InChI

InChI=1S/C6H10N2O2/c1-6(7-8-6)4-2-3-5(9)10/h2-4H2,1H3,(H,9,10)

InChIKey

GTNAKSVTKFGFQV-UHFFFAOYSA-N

Compound name

4-(3-methyldiazirin-3-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 142.07423 Da
Monoisotopic Mass: 0.7
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]+	143.081506	136.0
[M+Na]+	165.063448	146.6
[M-H]-	141.066954	137.1
[M+NH4]+	160.108053	151.4
[M+K]+	181.037388	144.7
[M+H-H2O]+	125.071490	130.1
[M+HCOO]-	187.072431	157.1
[M+CH3COO]-	201.088081	175.1
[M+Na-2H]-	163.048896	143.3
[M]+	142.07368142	140.8
[M]-	142.07477858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe