CID 62292462

(5-bromo-2-methoxypyridin-3-yl)methanamine

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
COC1=C(C=C(C=N1)Br)CN
InChI
InChI=1S/C7H9BrN2O/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,3,9H2,1H3
InChIKey
PKFXUPJXWBPWJR-UHFFFAOYSA-N
Compound name
(5-bromo-2-methoxypyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.98982 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99710 135.6
[M+Na]+ 238.97904 147.8
[M-H]- 214.98254 140.6
[M+NH4]+ 234.02364 156.4
[M+K]+ 254.95298 136.9
[M+H-H2O]+ 198.98708 134.8
[M+HCOO]- 260.98802 157.6
[M+CH3COO]- 275.00367 186.6
[M+Na-2H]- 236.96449 143.7
[M]+ 215.98927 154.3
[M]- 215.99037 154.3
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