CID 16787243

889943-39-9

Structural Information

Molecular Formula
C6H8BrNO
SMILES
CNCC1=CC=C(O1)Br
InChI
InChI=1S/C6H8BrNO/c1-8-4-5-2-3-6(7)9-5/h2-3,8H,4H2,1H3
InChIKey
NANYLEFIVQMQHM-UHFFFAOYSA-N
Compound name
1-(5-bromofuran-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98621 133.2
[M+Na]+ 211.96815 145.1
[M-H]- 187.97165 140.4
[M+NH4]+ 207.01275 156.7
[M+K]+ 227.94209 136.0
[M+H-H2O]+ 171.97619 133.4
[M+HCOO]- 233.97713 157.0
[M+CH3COO]- 247.99278 180.9
[M+Na-2H]- 209.95360 141.9
[M]+ 188.97838 152.7
[M]- 188.97948 152.7
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.