CID 3073836

153175-82-7

Structural Information

Molecular Formula
C16H31NO3
SMILES
CCN(CC)CCOC1CC2CC(C1(C)O)OC2(C)C
InChI
InChI=1S/C16H31NO3/c1-6-17(7-2)8-9-19-13-10-12-11-14(16(13,5)18)20-15(12,3)4/h12-14,18H,6-11H2,1-5H3
InChIKey
SORUQLFTRRYZRF-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethoxy]-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2304 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.23768 168.7
[M+Na]+ 308.21962 174.1
[M-H]- 284.22312 171.4
[M+NH4]+ 303.26422 190.7
[M+K]+ 324.19356 173.7
[M+H-H2O]+ 268.22766 164.7
[M+HCOO]- 330.22860 184.9
[M+CH3COO]- 344.24425 207.0
[M+Na-2H]- 306.20507 171.9
[M]+ 285.22985 172.2
[M]- 285.23095 172.2
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.