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]+ 172.133206 139.7
[M+Na]+ 194.115148 145.0
[M-H]- 170.118654 142.2
[M+NH4]+ 189.159753 163.0
[M+K]+ 210.089088 144.3
[M+H-H2O]+ 154.123190 134.8
[M+HCOO]- 216.124131 162.0
[M+CH3COO]- 230.139781 179.2
[M+Na-2H]- 192.100596 142.9
[M]+ 171.12538142 137.3
[M]- 171.12647858 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