CID 10001

3,3,3-trifluoropropylamine

Structural Information

Molecular Formula
C3H6F3N
SMILES
C(CN)C(F)(F)F
InChI
InChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
InChIKey
NGZVNONVXYLYQW-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2650
Patents

113.045235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.052511 116.7
[M+Na]+ 136.034453 124.9
[M-H]- 112.037959 113.0
[M+NH4]+ 131.079058 138.9
[M+K]+ 152.008393 124.2
[M+H-H2O]+ 96.042495 110.3
[M+HCOO]- 158.043436 137.1
[M+CH3COO]- 172.059086 170.2
[M+Na-2H]- 134.019901 123.3
[M]+ 113.04468642 110.6
[M]- 113.04578358 110.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe