CID 57455196

26882-05-3

Structural Information

Molecular Formula
C10H16O3
SMILES
CC1C(=O)CC(C1(C)C)CC(=O)O
InChI
InChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKey
VRCGDJCVKWWRME-UHFFFAOYSA-N
Compound name
2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 138.0
[M+Na]+ 207.09916 146.3
[M-H]- 183.10266 140.7
[M+NH4]+ 202.14376 161.5
[M+K]+ 223.07310 144.8
[M+H-H2O]+ 167.10720 134.9
[M+HCOO]- 229.10814 158.5
[M+CH3COO]- 243.12379 180.8
[M+Na-2H]- 205.08461 139.4
[M]+ 184.10939 138.0
[M]- 184.11049 138.0
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