CID 155858693

2580232-41-1

Structural Information

Molecular Formula
C7H14FNO
SMILES
COC1(CC(C1)CF)CN
InChI
InChI=1S/C7H14FNO/c1-10-7(5-9)2-6(3-7)4-8/h6H,2-5,9H2,1H3
InChIKey
MYRVEEKOBPRBAG-UHFFFAOYSA-N
Compound name
[3-(fluoromethyl)-1-methoxycyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.10594 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.113216 131.3
[M+Na]+ 170.095158 137.3
[M-H]- 146.098664 133.3
[M+NH4]+ 165.139763 147.8
[M+K]+ 186.069098 139.4
[M+H-H2O]+ 130.103200 121.4
[M+HCOO]- 192.104141 152.5
[M+CH3COO]- 206.119791 181.1
[M+Na-2H]- 168.080606 136.4
[M]+ 147.10539142 137.8
[M]- 147.10648858 137.8
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.