CID 103605

2-(3,3-diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C15H28O2
SMILES
CCOC(C(C)CC1CC2CCC1C2)OCC
InChI
InChI=1S/C15H28O2/c1-4-16-15(17-5-2)11(3)8-14-10-12-6-7-13(14)9-12/h11-15H,4-10H2,1-3H3
InChIKey
UPJXPVPMJFMWGQ-UHFFFAOYSA-N
Compound name
2-(3,3-diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 166.1
[M+Na]+ 263.19814 169.6
[M-H]- 239.20164 167.7
[M+NH4]+ 258.24274 188.7
[M+K]+ 279.17208 168.2
[M+H-H2O]+ 223.20618 161.1
[M+HCOO]- 285.20712 183.6
[M+CH3COO]- 299.22277 196.3
[M+Na-2H]- 261.18359 164.0
[M]+ 240.20837 167.8
[M]- 240.20947 167.8
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.