CID 43752944

2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CC1COC(CN)C(F)(F)F
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(3-11)12-4-5-1-2-5/h5-6H,1-4,11H2
InChIKey
MCTBAOIHILVGEP-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 130.2
[M+Na]+ 206.076318 138.3
[M-H]- 182.079824 130.4
[M+NH4]+ 201.120923 144.8
[M+K]+ 222.050258 135.9
[M+H-H2O]+ 166.084360 122.0
[M+HCOO]- 228.085301 149.3
[M+CH3COO]- 242.100951 186.6
[M+Na-2H]- 204.061766 134.7
[M]+ 183.08655142 128.1
[M]- 183.08764858 128.1
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.