CID 2794997

102096-60-6

Structural Information

Molecular Formula
C9H12O4
SMILES
CC1(COC(=O)[C@@H]1OC(=O)C=C)C
InChI
InChI=1S/C9H12O4/c1-4-6(10)13-7-8(11)12-5-9(7,2)3/h4,7H,1,5H2,2-3H3/t7-/m0/s1
InChIKey
ICMBTQSRUNSRKI-ZETCQYMHSA-N
Compound name
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

184.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 134.7
[M+Na]+ 207.06278 143.4
[M-H]- 183.06628 139.3
[M+NH4]+ 202.10738 157.3
[M+K]+ 223.03672 143.8
[M+H-H2O]+ 167.07082 131.3
[M+HCOO]- 229.07176 156.7
[M+CH3COO]- 243.08741 179.7
[M+Na-2H]- 205.04823 139.0
[M]+ 184.07301 137.2
[M]- 184.07411 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe