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]+ 184.09438 130.2
[M+Na]+ 206.07632 138.3
[M-H]- 182.07982 130.4
[M+NH4]+ 201.12092 144.8
[M+K]+ 222.05026 135.9
[M+H-H2O]+ 166.08436 122.0
[M+HCOO]- 228.08530 149.3
[M+CH3COO]- 242.10095 186.6
[M+Na-2H]- 204.06177 134.7
[M]+ 183.08655 128.1
[M]- 183.08765 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.