CID 46807

64048-61-9

Structural Information

Molecular Formula
C14H29N2
SMILES
C[N+](C)(C)CCCN1CC2CCCC(C2)C1
InChI
InChI=1S/C14H29N2/c1-16(2,3)9-5-8-15-11-13-6-4-7-14(10-13)12-15/h13-14H,4-12H2,1-3H3/q+1
InChIKey
HIQYPNJLCMCDJQ-UHFFFAOYSA-N
Compound name
3-(3-azabicyclo[3.3.1]nonan-3-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.23308 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.24036 154.9
[M+Na]+ 248.22230 157.5
[M-H]- 224.22580 156.2
[M+NH4]+ 243.26690 173.7
[M+K]+ 264.19624 150.2
[M+H-H2O]+ 208.23034 150.8
[M+HCOO]- 270.23128 169.4
[M+CH3COO]- 284.24693 192.0
[M+Na-2H]- 246.20775 162.9
[M]+ 225.23253 149.9
[M]- 225.23363 149.9
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.