CID 84648126

3-(2-fluoropropan-2-yl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C7H14FN
SMILES
CC(C)(C1CCNC1)F
InChI
InChI=1S/C7H14FN/c1-7(2,8)6-3-4-9-5-6/h6,9H,3-5H2,1-2H3
InChIKey
CPFFLIGUVDYFIR-UHFFFAOYSA-N
Compound name
3-(2-fluoropropan-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

131.11102 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.118296 129.0
[M+Na]+ 154.100238 135.1
[M-H]- 130.103744 128.0
[M+NH4]+ 149.144843 150.6
[M+K]+ 170.074178 133.5
[M+H-H2O]+ 114.108280 122.9
[M+HCOO]- 176.109221 146.5
[M+CH3COO]- 190.124871 169.2
[M+Na-2H]- 152.085686 133.4
[M]+ 131.11047142 122.9
[M]- 131.11156858 122.9
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