CID 2772203

1-(furan-2-yl)propan-2-amine

Structural Information

Molecular Formula
C7H11NO
SMILES
CC(CC1=CC=CO1)N
InChI
InChI=1S/C7H11NO/c1-6(8)5-7-3-2-4-9-7/h2-4,6H,5,8H2,1H3
InChIKey
IDUAQSPIDXGMKI-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

73
Patents

125.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.8
[M+Na]+ 148.07328 132.9
[M-H]- 124.07678 129.7
[M+NH4]+ 143.11788 147.9
[M+K]+ 164.04722 133.1
[M+H-H2O]+ 108.08132 120.5
[M+HCOO]- 170.08226 150.4
[M+CH3COO]- 184.09791 172.2
[M+Na-2H]- 146.05873 131.7
[M]+ 125.08351 125.3
[M]- 125.08461 125.3
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