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]+ 155.10666 131.1
[M+Na]+ 177.08860 135.5
[M-H]- 153.09210 135.7
[M+NH4]+ 172.13320 141.9
[M+K]+ 193.06254 139.6
[M+H-H2O]+ 137.09664 120.1
[M+HCOO]- 199.09758 147.6
[M+CH3COO]- 213.11323 186.7
[M+Na-2H]- 175.07405 136.6
[M]+ 154.09883 145.3
[M]- 154.09993 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