CID 208085

31634-29-4

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCC(C)NC(C)C(=O)C1=CC=CO1
InChI
InChI=1S/C11H17NO2/c1-4-8(2)12-9(3)11(13)10-6-5-7-14-10/h5-9,12H,4H2,1-3H3
InChIKey
BZANEHHOHRBDBU-UHFFFAOYSA-N
Compound name
2-(butan-2-ylamino)-1-(furan-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 147.7
[M+Na]+ 218.115148 152.7
[M-H]- 194.118654 151.6
[M+NH4]+ 213.159753 167.0
[M+K]+ 234.089088 153.2
[M+H-H2O]+ 178.123190 141.6
[M+HCOO]- 240.124131 170.0
[M+CH3COO]- 254.139781 188.0
[M+Na-2H]- 216.100596 149.9
[M]+ 195.12538142 149.1
[M]- 195.12647858 149.1
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.