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

17
Patents

174.96329 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.97057 129.3
[M+Na]+ 197.95251 141.6
[M-H]- 173.95601 136.1
[M+NH4]+ 192.99711 153.1
[M+K]+ 213.92645 132.3
[M+H-H2O]+ 157.96055 129.6
[M+HCOO]- 219.96149 152.8
[M+CH3COO]- 233.97714 177.4
[M+Na-2H]- 195.93796 137.5
[M]+ 174.96274 147.5
[M]- 174.96384 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