CID 155973787

1443248-11-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C#CCCCC1(N=N1)CCCC(=O)O

InChI

InChI=1S/C10H14N2O2/c1-2-3-4-7-10(11-12-10)8-5-6-9(13)14/h1H,3-8H2,(H,13,14)

InChIKey

JZGGFORFCRUNPG-UHFFFAOYSA-N

Compound name

4-(3-pent-4-ynyldiazirin-3-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 1.6
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]+	195.112806	142.5
[M+Na]+	217.094748	157.2
[M-H]-	193.098254	143.5
[M+NH4]+	212.139353	155.8
[M+K]+	233.068688	150.9
[M+H-H2O]+	177.102790	132.5
[M+HCOO]-	239.103731	158.7
[M+CH3COO]-	253.119381	192.7
[M+Na-2H]-	215.080196	149.0
[M]+	194.10498142	144.0
[M]-	194.10607858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.