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

5
Patents

131.11102 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.11830 129.0
[M+Na]+ 154.10024 135.1
[M-H]- 130.10374 128.0
[M+NH4]+ 149.14484 150.6
[M+K]+ 170.07418 133.5
[M+H-H2O]+ 114.10828 122.9
[M+HCOO]- 176.10922 146.5
[M+CH3COO]- 190.12487 169.2
[M+Na-2H]- 152.08569 133.4
[M]+ 131.11047 122.9
[M]- 131.11157 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