CID 14671747

66357-60-6

Structural Information

Molecular Formula
C7H11NO2
SMILES
CNCC1=CC=C(O1)CO
InChI
InChI=1S/C7H11NO2/c1-8-4-6-2-3-7(5-9)10-6/h2-3,8-9H,4-5H2,1H3
InChIKey
YNROOCMHXMKDGB-UHFFFAOYSA-N
Compound name
[5-(methylaminomethyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

141.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 127.6
[M+Na]+ 164.06820 135.3
[M-H]- 140.07170 130.8
[M+NH4]+ 159.11280 148.9
[M+K]+ 180.04214 135.0
[M+H-H2O]+ 124.07624 122.5
[M+HCOO]- 186.07718 152.5
[M+CH3COO]- 200.09283 172.6
[M+Na-2H]- 162.05365 134.7
[M]+ 141.07843 128.6
[M]- 141.07953 128.6
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