CID 58199

101198-11-2

Structural Information

Molecular Formula
C16H28N2
SMILES
C1CC2CC1C3C2C4CC3C(C4CN)CCCN
InChI
InChI=1S/C16H28N2/c17-5-1-2-11-12-7-13(14(11)8-18)16-10-4-3-9(6-10)15(12)16/h9-16H,1-8,17-18H2
InChIKey
INUNDISUCITEQT-UHFFFAOYSA-N
Compound name
3-[5-(aminomethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.22525 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.23253 158.3
[M+Na]+ 271.21447 162.2
[M+NH4]+ 266.25907 168.4
[M+K]+ 287.18841 163.6
[M-H]- 247.21797 159.1
[M+Na-2H]- 269.19992 153.9
[M]+ 248.22470 158.6
[M]- 248.22580 158.6
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.