CID 135618181

4-azatricyclo(4.3.1.1(sup 3,8))undec-4-ene, 5-(3-(dimethylamino)propylamino)-, dihydrochloride

Structural Information

Molecular Formula
C15H27N3
SMILES
CN(C)CCCN=C1C2CC3CC(C2)CC(C3)N1
InChI
InChI=1S/C15H27N3/c1-18(2)5-3-4-16-15-13-7-11-6-12(8-13)10-14(9-11)17-15/h11-14H,3-10H2,1-2H3,(H,16,17)
InChIKey
OYNAQXGWPBDMBO-UHFFFAOYSA-N
Compound name
3-(4-azatricyclo[4.3.1.13,8]undecan-5-ylideneamino)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.2205 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.22778 168.0
[M+Na]+ 272.20972 173.3
[M-H]- 248.21322 168.4
[M+NH4]+ 267.25432 187.3
[M+K]+ 288.18366 169.4
[M+H-H2O]+ 232.21776 166.8
[M+HCOO]- 294.21870 177.0
[M+CH3COO]- 308.23435 175.6
[M+Na-2H]- 270.19517 176.0
[M]+ 249.21995 166.4
[M]- 249.22105 166.4
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.