CID 91654550

5-(aminomethyl)-2-methylfuran-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC1=C(C=C(O1)CN)C(=O)O
InChI
InChI=1S/C7H9NO3/c1-4-6(7(9)10)2-5(3-8)11-4/h2H,3,8H2,1H3,(H,9,10)
InChIKey
ZIVCKCXORLVWLW-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-2-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 130.2
[M+Na]+ 178.04746 138.8
[M-H]- 154.05096 133.5
[M+NH4]+ 173.09206 150.8
[M+K]+ 194.02140 138.5
[M+H-H2O]+ 138.05550 125.3
[M+HCOO]- 200.05644 153.9
[M+CH3COO]- 214.07209 175.4
[M+Na-2H]- 176.03291 134.3
[M]+ 155.05769 130.7
[M]- 155.05879 130.7
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.