CID 641720

73991-95-4

Structural Information

Molecular Formula
C7H10O5
SMILES
CC1(O[C@H](C(=O)O1)CC(=O)O)C
InChI
InChI=1S/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKey
IDQOCLIWDMZKBZ-BYPYZUCNSA-N
Compound name
2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

174.05283 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06011 130.6
[M+Na]+ 197.04205 139.2
[M-H]- 173.04555 134.7
[M+NH4]+ 192.08665 151.5
[M+K]+ 213.01599 141.2
[M+H-H2O]+ 157.05009 127.6
[M+HCOO]- 219.05103 150.7
[M+CH3COO]- 233.06668 175.1
[M+Na-2H]- 195.02750 136.5
[M]+ 174.05228 133.4
[M]- 174.05338 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

literature stripe

Patent stripe

patents stripe