CID 50987817

1,1,1-trifluoro-3-methylpentan-2-amine hydrochloride

Structural Information

Molecular Formula
C6H12F3N
SMILES
CCC(C)C(C(F)(F)F)N
InChI
InChI=1S/C6H12F3N/c1-3-4(2)5(10)6(7,8)9/h4-5H,3,10H2,1-2H3
InChIKey
IIRLSLVVRQOEDF-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-methylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

155.09218 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.09946 131.2
[M+Na]+ 178.08140 137.7
[M-H]- 154.08490 127.2
[M+NH4]+ 173.12600 151.7
[M+K]+ 194.05534 137.2
[M+H-H2O]+ 138.08944 124.4
[M+HCOO]- 200.09038 148.6
[M+CH3COO]- 214.10603 181.0
[M+Na-2H]- 176.06685 133.7
[M]+ 155.09163 124.9
[M]- 155.09273 124.9
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