CID 44147543

94201-28-2

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC(C1C(C2CCC1C2)C)OC(=O)C
InChI
InChI=1S/C13H22O2/c1-4-12(15-9(3)14)13-8(2)10-5-6-11(13)7-10/h8,10-13H,4-7H2,1-3H3
InChIKey
WKQOGCONCLCIOZ-UHFFFAOYSA-N
Compound name
1-(3-methyl-2-bicyclo[2.2.1]heptanyl)propyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 154.6
[M+Na]+ 233.151208 160.3
[M-H]- 209.154714 157.1
[M+NH4]+ 228.195813 178.8
[M+K]+ 249.125148 158.8
[M+H-H2O]+ 193.159250 150.5
[M+HCOO]- 255.160191 173.0
[M+CH3COO]- 269.175841 190.0
[M+Na-2H]- 231.136656 153.2
[M]+ 210.16144142 155.3
[M]- 210.16253858 155.3
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.