CID 439495

Arginine, ethyl ester

Structural Information

Molecular Formula

C₈H₁₈N₄O₂

SMILES

CCOC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)/t6-/m0/s1

InChIKey

AKGWUHIOEVNNPC-LURJTMIESA-N

Compound name

ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 22
References: 2426
Patents: 202.14297 Da
Monoisotopic Mass: -1.2
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]+	203.150246	148.1
[M+Na]+	225.132188	151.4
[M-H]-	201.135694	147.9
[M+NH4]+	220.176793	165.5
[M+K]+	241.106128	151.8
[M+H-H2O]+	185.140230	140.9
[M+HCOO]-	247.141171	172.7
[M+CH3COO]-	261.156821	197.6
[M+Na-2H]-	223.117636	148.4
[M]+	202.14242142	144.9
[M]-	202.14351858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe