CID 137956430

(1s,4s)-2-(3-methylpyridin-4-yl)-2,5-diazabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C11H15N3
SMILES
CC1=C(C=CN=C1)N2C[C@@H]3C[C@H]2CN3
InChI
InChI=1S/C11H15N3/c1-8-5-12-3-2-11(8)14-7-9-4-10(14)6-13-9/h2-3,5,9-10,13H,4,6-7H2,1H3/t9-,10-/m0/s1
InChIKey
XGYLNFROGJGHOX-UWVGGRQHSA-N
Compound name
(1S,4S)-2-(3-methylpyridin-4-yl)-2,5-diazabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.1266 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 143.2
[M+Na]+ 212.11582 151.2
[M-H]- 188.11932 144.2
[M+NH4]+ 207.16042 163.4
[M+K]+ 228.08976 147.3
[M+H-H2O]+ 172.12386 135.5
[M+HCOO]- 234.12480 160.2
[M+CH3COO]- 248.14045 155.0
[M+Na-2H]- 210.10127 146.0
[M]+ 189.12605 139.9
[M]- 189.12715 139.9
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.