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
1
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]+ 211.16927 154.6
[M+Na]+ 233.15121 160.3
[M-H]- 209.15471 157.1
[M+NH4]+ 228.19581 178.8
[M+K]+ 249.12515 158.8
[M+H-H2O]+ 193.15925 150.5
[M+HCOO]- 255.16019 173.0
[M+CH3COO]- 269.17584 190.0
[M+Na-2H]- 231.13666 153.2
[M]+ 210.16144 155.3
[M]- 210.16254 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.