CID 55266520

Methyl 5-(3-aminopropyl)-2-methylfuran-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC1=C(C=C(O1)CCCN)C(=O)OC
InChI
InChI=1S/C10H15NO3/c1-7-9(10(12)13-2)6-8(14-7)4-3-5-11/h6H,3-5,11H2,1-2H3
InChIKey
ZJPBUZKZQLJUBG-UHFFFAOYSA-N
Compound name
methyl 5-(3-aminopropyl)-2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.112476 144.0
[M+Na]+ 220.094418 151.8
[M-H]- 196.097924 148.1
[M+NH4]+ 215.139023 163.7
[M+K]+ 236.068358 151.7
[M+H-H2O]+ 180.102460 138.3
[M+HCOO]- 242.103401 168.2
[M+CH3COO]- 256.119051 186.3
[M+Na-2H]- 218.079866 147.0
[M]+ 197.10465142 147.4
[M]- 197.10574858 147.4
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.