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

91
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 134.7
[M+Na]+ 194.07632 140.5
[M-H]- 170.07982 129.3
[M+NH4]+ 189.12092 153.7
[M+K]+ 210.05026 140.0
[M+H-H2O]+ 154.08436 127.9
[M+HCOO]- 216.08530 149.9
[M+CH3COO]- 230.10095 181.2
[M+Na-2H]- 192.06177 135.4
[M]+ 171.08655 127.2
[M]- 171.08765 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