CID 83915078

1550959-80-2

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CC(CC1CN)(C(F)(F)F)O
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(12)2-1-5(3-6)4-11/h5,12H,1-4,11H2
InChIKey
CABSTXAWASUBNA-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 135.0
[M+Na]+ 206.076318 142.2
[M-H]- 182.079824 132.8
[M+NH4]+ 201.120923 157.4
[M+K]+ 222.050258 139.8
[M+H-H2O]+ 166.084360 128.8
[M+HCOO]- 228.085301 152.3
[M+CH3COO]- 242.100951 178.3
[M+Na-2H]- 204.061766 138.4
[M]+ 183.08655142 126.2
[M]- 183.08764858 126.2
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

No patent data available for this compound.