CID 71306250

Spiro[2.5]octane-5-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC(CC2(C1)CC2)C(=O)O
InChI
InChI=1S/C9H14O2/c10-8(11)7-2-1-3-9(6-7)4-5-9/h7H,1-6H2,(H,10,11)
InChIKey
ZOQQTCPUNHQTIR-UHFFFAOYSA-N
Compound name
spiro[2.5]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

154.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.3
[M+Na]+ 177.08860 141.6
[M-H]- 153.09210 139.3
[M+NH4]+ 172.13320 151.8
[M+K]+ 193.06254 140.1
[M+H-H2O]+ 137.09664 129.5
[M+HCOO]- 199.09758 152.7
[M+CH3COO]- 213.11323 175.9
[M+Na-2H]- 175.07405 139.9
[M]+ 154.09883 132.1
[M]- 154.09993 132.1
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