CID 12603059

{1-azabicyclo[2.2.2]octan-3-yl}methanamine

Structural Information

Molecular Formula
C8H16N2
SMILES
C1CN2CCC1C(C2)CN
InChI
InChI=1S/C8H16N2/c9-5-8-6-10-3-1-7(8)2-4-10/h7-8H,1-6,9H2
InChIKey
NLSCFLSNWRVGLP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

140.13135 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 129.5
[M+Na]+ 163.120568 133.4
[M-H]- 139.124074 124.4
[M+NH4]+ 158.165173 153.8
[M+K]+ 179.094508 131.5
[M+H-H2O]+ 123.128610 124.6
[M+HCOO]- 185.129551 141.2
[M+CH3COO]- 199.145201 140.1
[M+Na-2H]- 161.106016 140.8
[M]+ 140.13080142 127.3
[M]- 140.13189858 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe