CID 4737374

3-(2,2,2-trifluoroethoxy)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H10F3NO
SMILES
C(CN)COCC(F)(F)F
InChI
InChI=1S/C5H10F3NO/c6-5(7,8)4-10-3-1-2-9/h1-4,9H2
InChIKey
OPJGZAWRXBEOMB-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

157.07144 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07872 129.1
[M+Na]+ 180.06066 136.4
[M-H]- 156.06416 125.0
[M+NH4]+ 175.10526 149.5
[M+K]+ 196.03460 135.6
[M+H-H2O]+ 140.06870 122.0
[M+HCOO]- 202.06964 149.0
[M+CH3COO]- 216.08529 178.2
[M+Na-2H]- 178.04611 134.6
[M]+ 157.07089 125.2
[M]- 157.07199 125.2
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

patents stripe