CID 10154155

103904-94-5

Structural Information

Molecular Formula
C8H10O3
SMILES
CC1(O[C@H]2C=CC(=O)[C@H]2O1)C
InChI
InChI=1S/C8H10O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-4,6-7H,1-2H3/t6-,7+/m0/s1
InChIKey
UWXUDHGKUWPPGB-NKWVEPMBSA-N
Compound name
(3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

154.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 127.0
[M+Na]+ 177.05221 137.1
[M-H]- 153.05571 133.4
[M+NH4]+ 172.09681 152.4
[M+K]+ 193.02615 138.2
[M+H-H2O]+ 137.06025 124.6
[M+HCOO]- 199.06119 149.3
[M+CH3COO]- 213.07684 174.1
[M+Na-2H]- 175.03766 134.0
[M]+ 154.06244 129.9
[M]- 154.06354 129.9
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