CID 19792960

2-ethyl-5-methoxybicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C10H18O
SMILES
CCC1CC2CC1CC2OC
InChI
InChI=1S/C10H18O/c1-3-7-4-9-5-8(7)6-10(9)11-2/h7-10H,3-6H2,1-2H3
InChIKey
UNUPWPQAAUTOII-UHFFFAOYSA-N
Compound name
2-ethyl-5-methoxybicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

23
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 137.2
[M+Na]+ 177.124988 144.5
[M-H]- 153.128494 140.0
[M+NH4]+ 172.169593 163.8
[M+K]+ 193.098928 143.0
[M+H-H2O]+ 137.133030 133.3
[M+HCOO]- 199.133971 158.3
[M+CH3COO]- 213.149621 178.9
[M+Na-2H]- 175.110436 139.7
[M]+ 154.13522142 137.4
[M]- 154.13631858 137.4
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

patents stripe