CID 19047

3527-45-5

Structural Information

Molecular Formula
C13H27N3
SMILES
CN1C2CCCC1CN(C2)CCCN(C)C
InChI
InChI=1S/C13H27N3/c1-14(2)8-5-9-16-10-12-6-4-7-13(11-16)15(12)3/h12-13H,4-11H2,1-3H3
InChIKey
VURXWNURYXTLCV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.2205 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.22778 157.8
[M+Na]+ 248.20972 161.2
[M-H]- 224.21322 157.6
[M+NH4]+ 243.25432 175.4
[M+K]+ 264.18366 159.6
[M+H-H2O]+ 208.21776 149.6
[M+HCOO]- 270.21870 172.2
[M+CH3COO]- 284.23435 199.8
[M+Na-2H]- 246.19517 161.1
[M]+ 225.21995 154.8
[M]- 225.22105 154.8
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.