CID 165801107

En300-1083611

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NCC1(CCOC1)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-11(8(13)14)4-5-16-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
VJJUKJBNMQFHGD-UHFFFAOYSA-N
Compound name
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 155.0
[M+Na]+ 268.11555 159.3
[M-H]- 244.11905 157.2
[M+NH4]+ 263.16015 173.5
[M+K]+ 284.08949 160.6
[M+H-H2O]+ 228.12359 150.9
[M+HCOO]- 290.12453 173.2
[M+CH3COO]- 304.14018 188.8
[M+Na-2H]- 266.10100 159.2
[M]+ 245.12578 155.6
[M]- 245.12688 155.6
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.