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]+ 188.08367 142.4
[M+Na]+ 210.06561 150.2
[M-H]- 186.06911 146.5
[M+NH4]+ 205.11021 163.3
[M+K]+ 226.03955 148.1
[M+H-H2O]+ 170.07365 137.5
[M+HCOO]- 232.07459 162.2
[M+CH3COO]- 246.09024 184.0
[M+Na-2H]- 208.05106 146.9
[M]+ 187.07584 145.8
[M]- 187.07694 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.