CID 59077113

219496-48-7

Structural Information

Molecular Formula
C14H24O4
SMILES
C[C@@]1(CC[C@H](C1(C)C)C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H24O4/c1-12(2,3)18-11(17)14(6)8-7-9(10(15)16)13(14,4)5/h9H,7-8H2,1-6H3,(H,15,16)/t9-,14+/m0/s1
InChIKey
BBWRIYPVWGWPSD-LKFCYVNXSA-N
Compound name
(1R,3S)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

256.16745 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 156.5
[M+Na]+ 279.15667 163.4
[M-H]- 255.16017 158.9
[M+NH4]+ 274.20127 179.0
[M+K]+ 295.13061 162.9
[M+H-H2O]+ 239.16471 154.7
[M+HCOO]- 301.16565 173.5
[M+CH3COO]- 315.18130 193.3
[M+Na-2H]- 277.14212 158.4
[M]+ 256.16690 158.4
[M]- 256.16800 158.4
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

patents stripe