CID 3372380

180046-57-5

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)NCC1CCC(CC1)CC(=O)O
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-9-11-6-4-10(5-7-11)8-12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
SOMMQRXDBVDYST-UHFFFAOYSA-N
Compound name
2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

271.17834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 164.8
[M+Na]+ 294.16756 170.6
[M+NH4]+ 289.21216 169.8
[M+K]+ 310.14150 167.8
[M-H]- 270.17106 163.4
[M+Na-2H]- 292.15301 165.6
[M]+ 271.17779 164.7
[M]- 271.17889 164.7
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

patents stripe