CID 85643153

2-hydroxycampholonic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
CC1(C(CC(=O)C1(C)O)CC(=O)O)C
InChI
InChI=1S/C10H16O4/c1-9(2)6(5-8(12)13)4-7(11)10(9,3)14/h6,14H,4-5H2,1-3H3,(H,12,13)
InChIKey
OBFKTGKIOIHLFK-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-2,2,3-trimethyl-4-oxocyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 139.4
[M+Na]+ 223.09408 148.2
[M-H]- 199.09758 141.0
[M+NH4]+ 218.13868 163.5
[M+K]+ 239.06802 146.5
[M+H-H2O]+ 183.10212 137.6
[M+HCOO]- 245.10306 158.6
[M+CH3COO]- 259.11871 180.2
[M+Na-2H]- 221.07953 142.1
[M]+ 200.10431 139.5
[M]- 200.10541 139.5
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.