CID 124116533

6-methylspiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C9H14O2/c1-6-2-9(3-6)4-7(5-9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKey
BFDRDDIHNVXWPZ-UHFFFAOYSA-N
Compound name
6-methylspiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 127.8
[M+Na]+ 177.088598 132.1
[M-H]- 153.092104 132.2
[M+NH4]+ 172.133203 137.0
[M+K]+ 193.062538 136.4
[M+H-H2O]+ 137.096640 115.5
[M+HCOO]- 199.097581 144.3
[M+CH3COO]- 213.113231 187.9
[M+Na-2H]- 175.074046 132.0
[M]+ 154.09883142 142.0
[M]- 154.09992858 142.0
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