CID 82601558

2361643-96-9

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1COCCC1(CN)C(F)(F)F
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(5-11)1-3-12-4-2-6/h1-5,11H2
InChIKey
DNODNUIZGZZGLQ-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)oxan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 136.0
[M+Na]+ 206.07632 141.9
[M-H]- 182.07982 135.3
[M+NH4]+ 201.12092 155.7
[M+K]+ 222.05026 141.6
[M+H-H2O]+ 166.08436 128.9
[M+HCOO]- 228.08530 151.8
[M+CH3COO]- 242.10095 180.0
[M+Na-2H]- 204.06177 142.5
[M]+ 183.08655 127.2
[M]- 183.08765 127.2
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.