CID 62039747

1-(2,2,2-trifluoroethoxy)butan-2-amine

Structural Information

Molecular Formula
C6H12F3NO
SMILES
CCC(COCC(F)(F)F)N
InChI
InChI=1S/C6H12F3NO/c1-2-5(10)3-11-4-6(7,8)9/h5H,2-4,10H2,1H3
InChIKey
WNGKXRMUFJDQEE-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethoxy)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0871 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.094376 134.2
[M+Na]+ 194.076318 140.9
[M-H]- 170.079824 130.0
[M+NH4]+ 189.120923 154.0
[M+K]+ 210.050258 140.3
[M+H-H2O]+ 154.084360 127.0
[M+HCOO]- 216.085301 152.8
[M+CH3COO]- 230.100951 182.1
[M+Na-2H]- 192.061766 137.9
[M]+ 171.08655142 130.0
[M]- 171.08764858 130.0
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.