CID 4001149

3-amino-1,1,1-trifluoro-5-methylhexan-2-ol

Structural Information

Molecular Formula
C7H14F3NO
SMILES
CC(C)CC(C(C(F)(F)F)O)N
InChI
InChI=1S/C7H14F3NO/c1-4(2)3-5(11)6(12)7(8,9)10/h4-6,12H,3,11H2,1-2H3
InChIKey
WZSHMIPUSYLNSA-UHFFFAOYSA-N
Compound name
3-amino-1,1,1-trifluoro-5-methylhexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

185.10275 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11003 139.4
[M+Na]+ 208.09197 144.8
[M-H]- 184.09547 133.8
[M+NH4]+ 203.13657 157.8
[M+K]+ 224.06591 144.1
[M+H-H2O]+ 168.10001 132.4
[M+HCOO]- 230.10095 154.3
[M+CH3COO]- 244.11660 184.2
[M+Na-2H]- 206.07742 139.6
[M]+ 185.10220 132.3
[M]- 185.10330 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe