CID 131492714

2-methyl-7-(trifluoromethyl)-1,4-oxazepane

Structural Information

Molecular Formula
C7H12F3NO
SMILES
CC1CNCCC(O1)C(F)(F)F
InChI
InChI=1S/C7H12F3NO/c1-5-4-11-3-2-6(12-5)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKey
OPZMNTLJZPVLJS-UHFFFAOYSA-N
Compound name
2-methyl-7-(trifluoromethyl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 125.4
[M+Na]+ 206.07632 129.8
[M-H]- 182.07982 123.8
[M+NH4]+ 201.12092 140.7
[M+K]+ 222.05026 133.2
[M+H-H2O]+ 166.08436 117.6
[M+HCOO]- 228.08530 137.8
[M+CH3COO]- 242.10095 179.5
[M+Na-2H]- 204.06177 130.7
[M]+ 183.08655 114.5
[M]- 183.08765 114.5
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.