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

11
Patents

169.07144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07872 130.4
[M+Na]+ 192.06066 138.0
[M-H]- 168.06416 128.4
[M+NH4]+ 187.10526 153.3
[M+K]+ 208.03460 135.9
[M+H-H2O]+ 152.06870 124.4
[M+HCOO]- 214.06964 148.0
[M+CH3COO]- 228.08529 175.3
[M+Na-2H]- 190.04611 134.4
[M]+ 169.07089 121.2
[M]- 169.07199 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