CID 54595516

3-methoxy-3-(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C6H10F3NO
SMILES
COC1(CCNC1)C(F)(F)F
InChI
InChI=1S/C6H10F3NO/c1-11-5(6(7,8)9)2-3-10-4-5/h10H,2-4H2,1H3
InChIKey
KZMBLHMFRVHVQT-UHFFFAOYSA-N
Compound name
3-methoxy-3-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

169.07144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.078716 131.5
[M+Na]+ 192.060658 139.1
[M-H]- 168.064164 128.3
[M+NH4]+ 187.105263 153.5
[M+K]+ 208.034598 137.5
[M+H-H2O]+ 152.068700 124.5
[M+HCOO]- 214.069641 147.5
[M+CH3COO]- 228.085291 172.7
[M+Na-2H]- 190.046106 136.6
[M]+ 169.07089142 124.3
[M]- 169.07198858 124.3
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