CID 216240

Icofungipen

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C=C1C[C@H]([C@H](C1)N)C(=O)O

InChI

InChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h5-6H,1-3,8H2,(H,9,10)/t5-,6+/m1/s1

InChIKey

RKOUGZGFAYMUIO-RITPCOANSA-N

Compound name

(1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 309
Patents: 141.07898 Da
Monoisotopic Mass: -2.1
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]+	142.08626	130.1
[M+Na]+	164.06820	138.0
[M+NH4]+	159.11280	137.3
[M+K]+	180.04214	136.0
[M-H]-	140.07170	130.1
[M+Na-2H]-	162.05365	132.2
[M]+	141.07843	130.7
[M]-	141.07953	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe