CID 59148428

(4-bromofuran-2-yl)methanamine

Structural Information

Molecular Formula
C5H6BrNO
SMILES
C1=C(OC=C1Br)CN
InChI
InChI=1S/C5H6BrNO/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2
InChIKey
HOTDKMXUFSTZMB-UHFFFAOYSA-N
Compound name
(4-bromofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

174.96329 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.970566 129.3
[M+Na]+ 197.952508 141.6
[M-H]- 173.956014 136.1
[M+NH4]+ 192.997113 153.1
[M+K]+ 213.926448 132.3
[M+H-H2O]+ 157.960550 129.6
[M+HCOO]- 219.961491 152.8
[M+CH3COO]- 233.977141 177.4
[M+Na-2H]- 195.937956 137.5
[M]+ 174.96274142 147.5
[M]- 174.96383858 147.5
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