CID 2756441

2745-22-4

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1=COC(=C1)C(CN)O
InChI
InChI=1S/C6H9NO2/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2
InChIKey
JWQAFPHYLSGNSK-UHFFFAOYSA-N
Compound name
2-amino-1-(furan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

79
Patents

127.06333 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 124.6
[M+Na]+ 150.052548 131.5
[M-H]- 126.056054 127.2
[M+NH4]+ 145.097153 145.8
[M+K]+ 166.026488 131.5
[M+H-H2O]+ 110.060590 119.4
[M+HCOO]- 172.061531 148.2
[M+CH3COO]- 186.077181 168.7
[M+Na-2H]- 148.037996 130.5
[M]+ 127.06278142 123.2
[M]- 127.06387858 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe