CID 12258503

37435-80-6

Structural Information

Molecular Formula
C8H14O3
SMILES
COC(=O)C[C@@H]1CC[C@@H](C1)O
InChI
InChI=1S/C8H14O3/c1-11-8(10)5-6-2-3-7(9)4-6/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKey
JKYJDPCEVAGWBX-RQJHMYQMSA-N
Compound name
methyl 2-[(1R,3S)-3-hydroxycyclopentyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

158.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 134.7
[M+Na]+ 181.083518 140.8
[M-H]- 157.087024 136.6
[M+NH4]+ 176.128123 156.6
[M+K]+ 197.057458 140.2
[M+H-H2O]+ 141.091560 129.9
[M+HCOO]- 203.092501 155.6
[M+CH3COO]- 217.108151 173.0
[M+Na-2H]- 179.068966 136.7
[M]+ 158.09375142 133.4
[M]- 158.09484858 133.4
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