CID 55209454

1271659-84-7

Structural Information

Molecular Formula
C14H24O2
SMILES
CCC(C)(C)C1CCC2(CC1)CC2C(=O)O
InChI
InChI=1S/C14H24O2/c1-4-13(2,3)10-5-7-14(8-6-10)9-11(14)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKey
KEYSPOFCPBDMSG-UHFFFAOYSA-N
Compound name
6-(2-methylbutan-2-yl)spiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 153.1
[M+Na]+ 247.166848 159.6
[M-H]- 223.170354 157.7
[M+NH4]+ 242.211453 168.3
[M+K]+ 263.140788 157.4
[M+H-H2O]+ 207.174890 148.6
[M+HCOO]- 269.175831 168.3
[M+CH3COO]- 283.191481 191.7
[M+Na-2H]- 245.152296 156.6
[M]+ 224.17708142 152.7
[M]- 224.17817858 152.7
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

No patent data available for this compound.