CID 146096835

2411299-48-2

Structural Information

Molecular Formula
C13H19NO4
SMILES
CC(C)(C)OC(=O)NCC1(CCC1)C#CC(=O)O
InChI
InChI=1S/C13H19NO4/c1-12(2,3)18-11(17)14-9-13(6-4-7-13)8-5-10(15)16/h4,6-7,9H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
JVWIKVDZBRQCIV-UHFFFAOYSA-N
Compound name
3-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 163.2
[M+Na]+ 276.120628 168.0
[M-H]- 252.124134 164.0
[M+NH4]+ 271.165233 173.3
[M+K]+ 292.094568 170.1
[M+H-H2O]+ 236.128670 148.3
[M+HCOO]- 298.129611 175.2
[M+CH3COO]- 312.145261 201.1
[M+Na-2H]- 274.106076 164.6
[M]+ 253.13086142 165.7
[M]- 253.13195858 165.7
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.