CID 22965756

1098432-96-2

Structural Information

Molecular Formula
C11H20O3
SMILES
CC1(CC(CC(O1)(C)C)CC(=O)O)C
InChI
InChI=1S/C11H20O3/c1-10(2)6-8(5-9(12)13)7-11(3,4)14-10/h8H,5-7H2,1-4H3,(H,12,13)
InChIKey
OXEUBCJBWRLTDT-UHFFFAOYSA-N
Compound name
2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.14125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 142.6
[M+Na]+ 223.130468 149.4
[M-H]- 199.133974 145.6
[M+NH4]+ 218.175073 164.2
[M+K]+ 239.104408 149.9
[M+H-H2O]+ 183.138510 139.4
[M+HCOO]- 245.139451 159.6
[M+CH3COO]- 259.155101 183.6
[M+Na-2H]- 221.115916 147.6
[M]+ 200.14070142 142.4
[M]- 200.14179858 142.4
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

patents stripe