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

77
Patents

125.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 125.8
[M+Na]+ 148.073278 132.9
[M-H]- 124.076784 129.7
[M+NH4]+ 143.117883 147.9
[M+K]+ 164.047218 133.1
[M+H-H2O]+ 108.081320 120.5
[M+HCOO]- 170.082261 150.4
[M+CH3COO]- 184.097911 172.2
[M+Na-2H]- 146.058726 131.7
[M]+ 125.08351142 125.3
[M]- 125.08460858 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