CID 11041524

215054-80-1

Structural Information

Molecular Formula
C8H15NO4
SMILES
C1COC(O1)CCC[C@@H](C(=O)O)N
InChI
InChI=1S/C8H15NO4/c9-6(8(10)11)2-1-3-7-12-4-5-13-7/h6-7H,1-5,9H2,(H,10,11)/t6-/m0/s1
InChIKey
RQULWPSGQYZREI-LURJTMIESA-N
Compound name
(2S)-2-amino-5-(1,3-dioxolan-2-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

127
Patents

189.10011 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 143.7
[M+Na]+ 212.08933 147.6
[M-H]- 188.09283 145.8
[M+NH4]+ 207.13393 160.5
[M+K]+ 228.06327 149.1
[M+H-H2O]+ 172.09737 137.9
[M+HCOO]- 234.09831 162.3
[M+CH3COO]- 248.11396 180.1
[M+Na-2H]- 210.07478 146.3
[M]+ 189.09956 142.2
[M]- 189.10066 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe