CID 76222860

[2-(trifluoromethyl)pyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1CC(NC1)(CO)C(F)(F)F
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5(4-11)2-1-3-10-5/h10-11H,1-4H2
InChIKey
LQAUJJXOOOCFAF-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07144 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.078716 132.2
[M+Na]+ 192.060658 139.3
[M-H]- 168.064164 127.6
[M+NH4]+ 187.105263 153.4
[M+K]+ 208.034598 136.8
[M+H-H2O]+ 152.068700 125.4
[M+HCOO]- 214.069641 146.7
[M+CH3COO]- 228.085291 170.0
[M+Na-2H]- 190.046106 136.9
[M]+ 169.07089142 123.1
[M]- 169.07198858 123.1
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.