CID 9793968

2-[1-(aminomethyl)-3-methylcyclopentyl]acetic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC1CCC(C1)(CC(=O)O)CN

InChI

InChI=1S/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)

InChIKey

HYVKVSAZCPKHDV-UHFFFAOYSA-N

Compound name

2-[1-(aminomethyl)-3-methylcyclopentyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 289
Patents: 171.12593 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]+	172.13321	139.3
[M+Na]+	194.11515	145.0
[M-H]-	170.11865	140.7
[M+NH4]+	189.15975	162.1
[M+K]+	210.08909	143.4
[M+H-H2O]+	154.12319	135.0
[M+HCOO]-	216.12413	160.0
[M+CH3COO]-	230.13978	178.4
[M+Na-2H]-	192.10060	141.3
[M]+	171.12538	135.4
[M]-	171.12648	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe