CID 113786

Of-557

Structural Information

Molecular Formula
C14H30N3
SMILES
CN(C)CC1C2CC[N+](C1CN(C)C)(CC2)C
InChI
InChI=1S/C14H30N3/c1-15(2)10-13-12-6-8-17(5,9-7-12)14(13)11-16(3)4/h12-14H,6-11H2,1-5H3/q+1
InChIKey
QQLGITONQJBNOJ-UHFFFAOYSA-N
Compound name
1-[2-[(dimethylamino)methyl]-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.24397 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.25125 156.9
[M+Na]+ 263.23319 158.9
[M-H]- 239.23669 154.3
[M+NH4]+ 258.27779 180.3
[M+K]+ 279.20713 153.2
[M+H-H2O]+ 223.24123 153.2
[M+HCOO]- 285.24217 168.2
[M+CH3COO]- 299.25782 205.5
[M+Na-2H]- 261.21864 167.2
[M]+ 240.24342 157.8
[M]- 240.24452 157.8
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.