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

2
Patents

154.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 127.7
[M+Na]+ 177.08860 131.3
[M-H]- 153.09210 131.8
[M+NH4]+ 172.13320 136.6
[M+K]+ 193.06254 135.5
[M+H-H2O]+ 137.09664 115.1
[M+HCOO]- 199.09758 144.3
[M+CH3COO]- 213.11323 186.9
[M+Na-2H]- 175.07405 132.5
[M]+ 154.09883 141.6
[M]- 154.09993 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