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 138.7
[M+Na]+ 207.09916 147.3
[M-H]- 183.10266 140.3
[M+NH4]+ 202.14376 161.6
[M+K]+ 223.07310 145.3
[M+H-H2O]+ 167.10720 135.6
[M+HCOO]- 229.10814 159.0
[M+CH3COO]- 243.12379 178.7
[M+Na-2H]- 205.08461 140.5
[M]+ 184.10939 138.9
[M]- 184.11049 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.