CID 165799453

5-(trifluoromethyl)azocan-5-ol

Structural Information

Molecular Formula
C8H14F3NO
SMILES
C1CC(CCCNC1)(C(F)(F)F)O
InChI
InChI=1S/C8H14F3NO/c9-8(10,11)7(13)3-1-5-12-6-2-4-7/h12-13H,1-6H2
InChIKey
JVGGCDLUIPHACK-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)azocan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.10275 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11003 149.9
[M+Na]+ 220.09197 154.2
[M-H]- 196.09547 148.1
[M+NH4]+ 215.13657 158.3
[M+K]+ 236.06591 154.0
[M+H-H2O]+ 180.10001 145.7
[M+HCOO]- 242.10095 155.2
[M+CH3COO]- 256.11660 219.1
[M+Na-2H]- 218.07742 150.1
[M]+ 197.10220 144.9
[M]- 197.10330 144.9
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

No patent data available for this compound.