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]+ 172.09438 134.2
[M+Na]+ 194.07632 140.9
[M-H]- 170.07982 130.0
[M+NH4]+ 189.12092 154.0
[M+K]+ 210.05026 140.3
[M+H-H2O]+ 154.08436 127.0
[M+HCOO]- 216.08530 152.8
[M+CH3COO]- 230.10095 182.1
[M+Na-2H]- 192.06177 137.9
[M]+ 171.08655 130.0
[M]- 171.08765 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.