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

8
Patents

169.07144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07872 131.5
[M+Na]+ 192.06066 139.1
[M-H]- 168.06416 128.3
[M+NH4]+ 187.10526 153.5
[M+K]+ 208.03460 137.5
[M+H-H2O]+ 152.06870 124.5
[M+HCOO]- 214.06964 147.5
[M+CH3COO]- 228.08529 172.7
[M+Na-2H]- 190.04611 136.6
[M]+ 169.07089 124.3
[M]- 169.07199 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