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]+ 184.09438 135.0
[M+Na]+ 206.07632 142.2
[M-H]- 182.07982 132.8
[M+NH4]+ 201.12092 157.4
[M+K]+ 222.05026 139.8
[M+H-H2O]+ 166.08436 128.8
[M+HCOO]- 228.08530 152.3
[M+CH3COO]- 242.10095 178.3
[M+Na-2H]- 204.06177 138.4
[M]+ 183.08655 126.2
[M]- 183.08765 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.