CID 115011081

(3-fluoro-3-methylcyclobutyl)methanamine

Structural Information

Molecular Formula
C6H12FN
SMILES
CC1(CC(C1)CN)F
InChI
InChI=1S/C6H12FN/c1-6(7)2-5(3-6)4-8/h5H,2-4,8H2,1H3
InChIKey
AJELTLNLCYNWKN-UHFFFAOYSA-N
Compound name
(3-fluoro-3-methylcyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

117.095375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.102651 124.1
[M+Na]+ 140.084593 130.6
[M-H]- 116.088099 126.4
[M+NH4]+ 135.129198 141.8
[M+K]+ 156.058533 132.6
[M+H-H2O]+ 100.092635 114.6
[M+HCOO]- 162.093576 145.5
[M+CH3COO]- 176.109226 176.2
[M+Na-2H]- 138.070041 129.7
[M]+ 117.09482642 128.8
[M]- 117.09592358 128.8
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

patents stripe