CID 138040859

2168959-86-0

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC2(C1)CC(C2)CC(=O)O
InChI
InChI=1S/C9H14O2/c10-8(11)4-7-5-9(6-7)2-1-3-9/h7H,1-6H2,(H,10,11)
InChIKey
WLWZYGGDLMOIPM-UHFFFAOYSA-N
Compound name
2-spiro[3.3]heptan-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

154.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 127.7
[M+Na]+ 177.088598 131.3
[M-H]- 153.092104 131.8
[M+NH4]+ 172.133203 136.6
[M+K]+ 193.062538 135.5
[M+H-H2O]+ 137.096640 115.1
[M+HCOO]- 199.097581 144.3
[M+CH3COO]- 213.113231 186.9
[M+Na-2H]- 175.074046 132.5
[M]+ 154.09883142 141.6
[M]- 154.09992858 141.6
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