CID 14503246

3-amino-1,1,1-trifluoro-4-methylpentan-2-ol

Structural Information

Molecular Formula
C6H12F3NO
SMILES
CC(C)C(C(C(F)(F)F)O)N
InChI
InChI=1S/C6H12F3NO/c1-3(2)4(10)5(11)6(7,8)9/h3-5,11H,10H2,1-2H3
InChIKey
CXXBVHOIDJALEU-UHFFFAOYSA-N
Compound name
3-amino-1,1,1-trifluoro-4-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
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 134.7
[M+Na]+ 194.076318 140.5
[M-H]- 170.079824 129.3
[M+NH4]+ 189.120923 153.7
[M+K]+ 210.050258 140.0
[M+H-H2O]+ 154.084360 127.9
[M+HCOO]- 216.085301 149.9
[M+CH3COO]- 230.100951 181.2
[M+Na-2H]- 192.061766 135.4
[M]+ 171.08655142 127.2
[M]- 171.08764858 127.2
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