CID 44607645

1191996-99-2

Structural Information

Molecular Formula
C9H17NO2
SMILES
COC(=O)[C@H](CC1CCCC1)N
InChI
InChI=1S/C9H17NO2/c1-12-9(11)8(10)6-7-4-2-3-5-7/h7-8H,2-6,10H2,1H3/t8-/m0/s1
InChIKey
RZAFJDYKEFALQU-QMMMGPOBSA-N
Compound name
methyl (2S)-2-amino-3-cyclopentylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

171.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 141.3
[M+Na]+ 194.11515 145.4
[M-H]- 170.11865 143.5
[M+NH4]+ 189.15975 162.5
[M+K]+ 210.08909 145.0
[M+H-H2O]+ 154.12319 135.4
[M+HCOO]- 216.12413 162.6
[M+CH3COO]- 230.13978 180.5
[M+Na-2H]- 192.10060 141.9
[M]+ 171.12538 137.9
[M]- 171.12648 137.9
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