CID 60663213

2551114-88-4

Structural Information

Molecular Formula
C9H14ClNO
SMILES
CC(C)CNCC1=CC=C(O1)Cl
InChI
InChI=1S/C9H14ClNO/c1-7(2)5-11-6-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3
InChIKey
VYWBMFVFMCEHLM-UHFFFAOYSA-N
Compound name
N-[(5-chlorofuran-2-yl)methyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.083666 142.4
[M+Na]+ 210.065608 150.2
[M-H]- 186.069114 146.5
[M+NH4]+ 205.110213 163.3
[M+K]+ 226.039548 148.1
[M+H-H2O]+ 170.073650 137.5
[M+HCOO]- 232.074591 162.2
[M+CH3COO]- 246.090241 184.0
[M+Na-2H]- 208.051056 146.9
[M]+ 187.07584142 145.8
[M]- 187.07693858 145.8
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.