CID 165756268

[6a-(trifluoromethyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol

Structural Information

Molecular Formula
C8H13F3N2O
SMILES
C1C2(CNCC2(CN1)C(F)(F)F)CO
InChI
InChI=1S/C8H13F3N2O/c9-8(10,11)7-3-12-1-6(7,5-14)2-13-4-7/h12-14H,1-5H2
InChIKey
NIIQSXXWNFLILV-UHFFFAOYSA-N
Compound name
[3a-(trifluoromethyl)-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrol-6a-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.09799 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10527 144.3
[M+Na]+ 233.08721 151.5
[M-H]- 209.09071 138.0
[M+NH4]+ 228.13181 166.4
[M+K]+ 249.06115 147.5
[M+H-H2O]+ 193.09525 137.5
[M+HCOO]- 255.09619 154.6
[M+CH3COO]- 269.11184 174.3
[M+Na-2H]- 231.07266 148.2
[M]+ 210.09744 133.6
[M]- 210.09854 133.6
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.