CID 11651197

1-(trifluoromethyl)cyclopropanamine hydrochloride

Structural Information

Molecular Formula
C4H6F3N
SMILES
C1CC1(C(F)(F)F)N
InChI
InChI=1S/C4H6F3N/c5-4(6,7)3(8)1-2-3/h1-2,8H2
InChIKey
FBWOFVFUKXZXKT-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

905
Patents

125.045235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05251 114.8
[M+Na]+ 148.03445 124.9
[M-H]- 124.03796 115.8
[M+NH4]+ 143.07906 133.5
[M+K]+ 164.00839 123.6
[M+H-H2O]+ 108.04250 108.4
[M+HCOO]- 170.04344 135.1
[M+CH3COO]- 184.05909 174.9
[M+Na-2H]- 146.01990 123.0
[M]+ 125.04469 111.1
[M]- 125.04578 111.1
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