CID 165801107

3-({[(tert-butoxy)carbonyl]amino}methyl)oxolane-3-carboxylic acid

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]+ 246.133606 155.0
[M+Na]+ 268.115548 159.3
[M-H]- 244.119054 157.2
[M+NH4]+ 263.160153 173.5
[M+K]+ 284.089488 160.6
[M+H-H2O]+ 228.123590 150.9
[M+HCOO]- 290.124531 173.2
[M+CH3COO]- 304.140181 188.8
[M+Na-2H]- 266.100996 159.2
[M]+ 245.12578142 155.6
[M]- 245.12687858 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.