CID 59634

102585-71-7

Structural Information

Molecular Formula
C16H33N3O
SMILES
C[N+]1(C2CCCC1CN(C2)CC[N+]3(CCOCC3)C)C
InChI
InChI=1S/C16H33N3O/c1-18(2)15-5-4-6-16(18)14-17(13-15)7-8-19(3)9-11-20-12-10-19/h15-16H,4-14H2,1-3H3/q+2
InChIKey
SRZHVBHQYWRNCU-UHFFFAOYSA-N
Compound name
4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.26236 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.26964 168.7
[M+Na]+ 306.25158 171.1
[M-H]- 282.25508 169.4
[M+NH4]+ 301.29618 183.7
[M+K]+ 322.22552 158.4
[M+H-H2O]+ 266.25962 163.8
[M+HCOO]- 328.26056 174.6
[M+CH3COO]- 342.27621 189.4
[M+Na-2H]- 304.23703 177.1
[M]+ 283.26181 159.2
[M]- 283.26291 159.2
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.