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

50
Patents

171.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 141.3
[M+Na]+ 194.115148 145.4
[M-H]- 170.118654 143.5
[M+NH4]+ 189.159753 162.5
[M+K]+ 210.089088 145.0
[M+H-H2O]+ 154.123190 135.4
[M+HCOO]- 216.124131 162.6
[M+CH3COO]- 230.139781 180.5
[M+Na-2H]- 192.100596 141.9
[M]+ 171.12538142 137.9
[M]- 171.12647858 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