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]+ 225.18491 153.1
[M+Na]+ 247.16685 159.6
[M-H]- 223.17035 157.7
[M+NH4]+ 242.21145 168.3
[M+K]+ 263.14079 157.4
[M+H-H2O]+ 207.17489 148.6
[M+HCOO]- 269.17583 168.3
[M+CH3COO]- 283.19148 191.7
[M+Na-2H]- 245.15230 156.6
[M]+ 224.17708 152.7
[M]- 224.17818 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.