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]+ 185.11722 140.5
[M+Na]+ 207.09916 149.7
[M+NH4]+ 202.14376 148.8
[M+K]+ 223.07310 145.7
[M-H]- 183.10266 139.8
[M+Na-2H]- 205.08461 144.1
[M]+ 184.10939 141.4
[M]- 184.11049 141.4
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.