CID 96837502

Rac-(2r,5s)-5-({[(tert-butoxy)carbonyl]amino}methyl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](O1)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
InChIKey
LCUKHUMNWGIQJL-JGVFFNPUSA-N
Compound name
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.12633 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 155.9
[M+Na]+ 268.115548 160.2
[M-H]- 244.119054 158.2
[M+NH4]+ 263.160153 172.6
[M+K]+ 284.089488 161.2
[M+H-H2O]+ 228.123590 150.8
[M+HCOO]- 290.124531 174.1
[M+CH3COO]- 304.140181 190.5
[M+Na-2H]- 266.100996 157.9
[M]+ 245.12578142 156.4
[M]- 245.12687858 156.4
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