CID 155943334

2613383-53-0

Structural Information

Molecular Formula
C8H17N3
SMILES
C1C2CNCC1(CNC2)CN
InChI
InChI=1S/C8H17N3/c9-4-8-1-7(2-10-5-8)3-11-6-8/h7,10-11H,1-6,9H2
InChIKey
VUSOJCVGIGUBEN-UHFFFAOYSA-N
Compound name
3,7-diazabicyclo[3.3.1]nonan-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.14224 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.14952 136.3
[M+Na]+ 178.13146 140.2
[M-H]- 154.13496 132.0
[M+NH4]+ 173.17606 155.8
[M+K]+ 194.10540 136.6
[M+H-H2O]+ 138.13950 129.9
[M+HCOO]- 200.14044 148.4
[M+CH3COO]- 214.15609 145.7
[M+Na-2H]- 176.11691 143.6
[M]+ 155.14169 125.4
[M]- 155.14279 125.4
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.