CID 57339217

[(1s)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate

Structural Information

Molecular Formula
C10H16O3
SMILES
CC1=C(C[C@H](C1(C)C)CC(=O)O)O
InChI
InChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h7,11H,4-5H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey
URJCZGFYOSRITQ-ZETCQYMHSA-N
Compound name
2-[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-en-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.117216 138.7
[M+Na]+ 207.099158 147.3
[M-H]- 183.102664 140.3
[M+NH4]+ 202.143763 161.6
[M+K]+ 223.073098 145.3
[M+H-H2O]+ 167.107200 135.6
[M+HCOO]- 229.108141 159.0
[M+CH3COO]- 243.123791 178.7
[M+Na-2H]- 205.084606 140.5
[M]+ 184.10939142 138.9
[M]- 184.11048858 138.9
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.