CID 115071712

4-(1-{[(tert-butoxy)carbonyl]amino}cyclopentyl)butanoic acid

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)NC1(CCCC1)CCCC(=O)O
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(8-4-5-9-14)10-6-7-11(16)17/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
PBBNCINHDFRIGL-UHFFFAOYSA-N
Compound name
4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 166.4
[M+Na]+ 294.16756 169.5
[M-H]- 270.17106 167.5
[M+NH4]+ 289.21216 185.2
[M+K]+ 310.14150 168.7
[M+H-H2O]+ 254.17560 161.8
[M+HCOO]- 316.17654 184.3
[M+CH3COO]- 330.19219 195.5
[M+Na-2H]- 292.15301 167.8
[M]+ 271.17779 166.0
[M]- 271.17889 166.0
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.