CID 53424564

85099-13-4

Structural Information

Molecular Formula
C14H24O2
SMILES
CCC(CC1CC2CCC1C2)COC(=O)C
InChI
InChI=1S/C14H24O2/c1-3-11(9-16-10(2)15)6-14-8-12-4-5-13(14)7-12/h11-14H,3-9H2,1-2H3
InChIKey
QFCDGLRMLBAVGY-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanylmethyl)butyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 160.3
[M+Na]+ 247.166848 164.7
[M-H]- 223.170354 162.2
[M+NH4]+ 242.211453 183.6
[M+K]+ 263.140788 162.9
[M+H-H2O]+ 207.174890 155.6
[M+HCOO]- 269.175831 178.4
[M+CH3COO]- 283.191481 191.8
[M+Na-2H]- 245.152296 158.8
[M]+ 224.17708142 160.9
[M]- 224.17817858 160.9
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.