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]+ 201.112136 139.4
[M+Na]+ 223.094078 148.2
[M-H]- 199.097584 141.0
[M+NH4]+ 218.138683 163.5
[M+K]+ 239.068018 146.5
[M+H-H2O]+ 183.102120 137.6
[M+HCOO]- 245.103061 158.6
[M+CH3COO]- 259.118711 180.2
[M+Na-2H]- 221.079526 142.1
[M]+ 200.10431142 139.5
[M]- 200.10540858 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.