CID 165943789

5,5-dimethyl-6-oxospiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
CC1(C(=O)CC12CC(C2)C(=O)O)C
InChI
InChI=1S/C10H14O3/c1-9(2)7(11)5-10(9)3-6(4-10)8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKey
ACDLLGUFJDIUTJ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-oxospiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 135.9
[M+Na]+ 205.08352 141.3
[M-H]- 181.08702 140.8
[M+NH4]+ 200.12812 145.9
[M+K]+ 221.05746 145.2
[M+H-H2O]+ 165.09156 125.2
[M+HCOO]- 227.09250 152.3
[M+CH3COO]- 241.10815 192.4
[M+Na-2H]- 203.06897 139.8
[M]+ 182.09375 151.7
[M]- 182.09485 151.7
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.