CID 53423236

Ns00063301

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(C2CCC(C2)(C1=CCCCOC)C)C
InChI
InChI=1S/C15H26O/c1-14(2)12-8-9-15(3,11-12)13(14)7-5-6-10-16-4/h7,12H,5-6,8-11H2,1-4H3
InChIKey
XMLQMWOIFMVPFQ-UHFFFAOYSA-N
Compound name
2-(4-methoxybutylidene)-1,3,3-trimethylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 156.5
[M+Na]+ 245.187578 164.1
[M-H]- 221.191084 159.1
[M+NH4]+ 240.232183 184.4
[M+K]+ 261.161518 160.4
[M+H-H2O]+ 205.195620 153.2
[M+HCOO]- 267.196561 176.1
[M+CH3COO]- 281.212211 191.6
[M+Na-2H]- 243.173026 158.8
[M]+ 222.19781142 158.3
[M]- 222.19890858 158.3
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.