CID 66099347

Methyl 3-(aminomethyl)-4,4,4-trifluorobutanoate hydrochloride

Structural Information

Molecular Formula
C6H10F3NO2
SMILES
COC(=O)CC(CN)C(F)(F)F
InChI
InChI=1S/C6H10F3NO2/c1-12-5(11)2-4(3-10)6(7,8)9/h4H,2-3,10H2,1H3
InChIKey
JKGVZTYBOLYLMD-UHFFFAOYSA-N
Compound name
methyl 3-(aminomethyl)-4,4,4-trifluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06636 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07364 135.8
[M+Na]+ 208.05558 142.6
[M-H]- 184.05908 131.7
[M+NH4]+ 203.10018 155.0
[M+K]+ 224.02952 142.3
[M+H-H2O]+ 168.06362 128.6
[M+HCOO]- 230.06456 153.9
[M+CH3COO]- 244.08021 183.3
[M+Na-2H]- 206.04103 138.4
[M]+ 185.06581 131.6
[M]- 185.06691 131.6
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.