CID 448213

[5-(aminomethyl)furan-2-yl]methanol

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1=C(OC(=C1)CO)CN
InChI
InChI=1S/C6H9NO2/c7-3-5-1-2-6(4-8)9-5/h1-2,8H,3-4,7H2
InChIKey
AMANOVBJYCBOPN-UHFFFAOYSA-N
Compound name
[5-(aminomethyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

127.06333 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 123.3
[M+Na]+ 150.052548 131.5
[M-H]- 126.056054 126.2
[M+NH4]+ 145.097153 144.9
[M+K]+ 166.026488 131.0
[M+H-H2O]+ 110.060590 118.3
[M+HCOO]- 172.061531 147.9
[M+CH3COO]- 186.077181 168.9
[M+Na-2H]- 148.037996 129.9
[M]+ 127.06278142 123.0
[M]- 127.06387858 123.0
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