CID 50989722

3-amino-1-(trifluoromethyl)cyclopentan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1CC(CC1N)(C(F)(F)F)O
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5(11)2-1-4(10)3-5/h4,11H,1-3,10H2
InChIKey
AYCCOAABGNCNAQ-UHFFFAOYSA-N
Compound name
3-amino-1-(trifluoromethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

169.07144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.078716 130.4
[M+Na]+ 192.060658 138.0
[M-H]- 168.064164 128.4
[M+NH4]+ 187.105263 153.3
[M+K]+ 208.034598 135.9
[M+H-H2O]+ 152.068700 124.4
[M+HCOO]- 214.069641 148.0
[M+CH3COO]- 228.085291 175.3
[M+Na-2H]- 190.046106 134.4
[M]+ 169.07089142 121.2
[M]- 169.07198858 121.2
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