CID 122163466

Rac-(1r,3s)-3-[(tert-butoxy)carbonyl]cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C11H18O4
SMILES
CC(C)(C)OC(=O)[C@@H]1CC[C@@H](C1)C(=O)O
InChI
InChI=1S/C11H18O4/c1-11(2,3)15-10(14)8-5-4-7(6-8)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m0/s1
InChIKey
DLQSTANETGIDCE-JGVFFNPUSA-N
Compound name
(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 149.0
[M+Na]+ 237.10973 154.3
[M-H]- 213.11323 150.8
[M+NH4]+ 232.15433 168.7
[M+K]+ 253.08367 153.9
[M+H-H2O]+ 197.11777 144.6
[M+HCOO]- 259.11871 166.9
[M+CH3COO]- 273.13436 183.8
[M+Na-2H]- 235.09518 149.5
[M]+ 214.11996 148.4
[M]- 214.12106 148.4
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.