CID 59107130

Methyl 2-[1-(aminomethyl)cyclopentyl]acetate hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
COC(=O)CC1(CCCC1)CN
InChI
InChI=1S/C9H17NO2/c1-12-8(11)6-9(7-10)4-2-3-5-9/h2-7,10H2,1H3
InChIKey
PKWOIHUJZDEWFL-UHFFFAOYSA-N
Compound name
methyl 2-[1-(aminomethyl)cyclopentyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

171.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.7
[M+Na]+ 194.11515 145.0
[M-H]- 170.11865 142.2
[M+NH4]+ 189.15975 163.0
[M+K]+ 210.08909 144.3
[M+H-H2O]+ 154.12319 134.8
[M+HCOO]- 216.12413 162.0
[M+CH3COO]- 230.13978 179.2
[M+Na-2H]- 192.10060 142.9
[M]+ 171.12538 137.3
[M]- 171.12648 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe