CID 20320777

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

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1(CC2(C1)CCC2)C(=O)O
InChI
InChI=1S/C9H14O2/c1-8(7(10)11)5-9(6-8)3-2-4-9/h2-6H2,1H3,(H,10,11)
InChIKey
VTWGNAZOWBHJJX-UHFFFAOYSA-N
Compound name
2-methylspiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 131.1
[M+Na]+ 177.088598 135.5
[M-H]- 153.092104 135.7
[M+NH4]+ 172.133203 141.9
[M+K]+ 193.062538 139.6
[M+H-H2O]+ 137.096640 120.1
[M+HCOO]- 199.097581 147.6
[M+CH3COO]- 213.113231 186.7
[M+Na-2H]- 175.074046 136.6
[M]+ 154.09883142 145.3
[M]- 154.09992858 145.3
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