CID 106923

67860-11-1

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC(=O)OC1C(C2CCC1(C2)C)(C)C
InChI
InChI=1S/C13H22O2/c1-5-10(14)15-11-12(2,3)9-6-7-13(11,4)8-9/h9,11H,5-8H2,1-4H3
InChIKey
UUBGRKCIBHMJQC-UHFFFAOYSA-N
Compound name
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 150.9
[M+Na]+ 233.15121 159.0
[M-H]- 209.15471 154.0
[M+NH4]+ 228.19581 179.3
[M+K]+ 249.12515 156.9
[M+H-H2O]+ 193.15925 148.3
[M+HCOO]- 255.16019 170.4
[M+CH3COO]- 269.17584 188.4
[M+Na-2H]- 231.13666 153.4
[M]+ 210.16144 152.9
[M]- 210.16254 152.9
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.