CID 137952322

2219371-99-8

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(C)(C)OC(=O)NCC(CCC(=O)O)O
InChI
InChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11-6-7(12)4-5-8(13)14/h7,12H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKey
FDFQVLPSFNIIGY-UHFFFAOYSA-N
Compound name
4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12633 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.133606 154.0
[M+Na]+ 256.115548 158.1
[M-H]- 232.119054 151.2
[M+NH4]+ 251.160153 170.1
[M+K]+ 272.089488 158.3
[M+H-H2O]+ 216.123590 149.0
[M+HCOO]- 278.124531 171.6
[M+CH3COO]- 292.140181 188.3
[M+Na-2H]- 254.100996 155.4
[M]+ 233.12578142 155.3
[M]- 233.12687858 155.3
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

No patent data available for this compound.