CID 165656012

2751621-02-8

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1C(CC1CN)CC(F)(F)F
InChI
InChI=1S/C7H12F3N/c8-7(9,10)3-5-1-6(2-5)4-11/h5-6H,1-4,11H2
InChIKey
YPNUELVCEPFQPW-UHFFFAOYSA-N
Compound name
[3-(2,2,2-trifluoroethyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09218 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.09946 135.0
[M+Na]+ 190.08140 140.7
[M-H]- 166.08490 134.2
[M+NH4]+ 185.12600 148.7
[M+K]+ 206.05534 141.9
[M+H-H2O]+ 150.08944 122.5
[M+HCOO]- 212.09038 152.3
[M+CH3COO]- 226.10603 184.7
[M+Na-2H]- 188.06685 138.2
[M]+ 167.09163 136.7
[M]- 167.09273 136.7
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.