CID 66828199

4-(5-bromopyridin-2-yl)oxan-4-amine

Structural Information

Molecular Formula
C10H13BrN2O
SMILES
C1COCCC1(C2=NC=C(C=C2)Br)N
InChI
InChI=1S/C10H13BrN2O/c11-8-1-2-9(13-7-8)10(12)3-5-14-6-4-10/h1-2,7H,3-6,12H2
InChIKey
UWOJZGDNBZYEMO-UHFFFAOYSA-N
Compound name
4-(5-bromopyridin-2-yl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

256.02112 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02840 148.6
[M+Na]+ 279.01034 157.8
[M-H]- 255.01384 156.1
[M+NH4]+ 274.05494 167.7
[M+K]+ 294.98428 148.0
[M+H-H2O]+ 239.01838 147.6
[M+HCOO]- 301.01932 166.2
[M+CH3COO]- 315.03497 162.3
[M+Na-2H]- 276.99579 157.1
[M]+ 256.02057 162.8
[M]- 256.02167 162.8
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

patents stripe