CID 50990614

1384431-10-0

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1C2(CC1(C(F)(F)F)O)CNC2
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)6(12)1-5(2-6)3-11-4-5/h11-12H,1-4H2
InChIKey
VJULAXOPUSEOFN-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2-azaspiro[3.3]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

181.07144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 137.5
[M+Na]+ 204.060658 143.1
[M-H]- 180.064164 136.3
[M+NH4]+ 199.105263 145.7
[M+K]+ 220.034598 145.5
[M+H-H2O]+ 164.068700 124.1
[M+HCOO]- 226.069641 148.5
[M+CH3COO]- 240.085291 186.7
[M+Na-2H]- 202.046106 143.2
[M]+ 181.07089142 146.1
[M]- 181.07198858 146.1
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

patents stripe