CID 67224438

2-(3,3-difluoropyrrolidin-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H11F2NO
SMILES
C1CN(CC1(F)F)CCO
InChI
InChI=1S/C6H11F2NO/c7-6(8)1-2-9(5-6)3-4-10/h10H,1-5H2
InChIKey
RKGUPRNVKSFVMD-UHFFFAOYSA-N
Compound name
2-(3,3-difluoropyrrolidin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

151.08087 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.088146 127.8
[M+Na]+ 174.070088 135.8
[M-H]- 150.073594 126.0
[M+NH4]+ 169.114693 150.7
[M+K]+ 190.044028 134.2
[M+H-H2O]+ 134.078130 121.3
[M+HCOO]- 196.079071 146.5
[M+CH3COO]- 210.094721 171.3
[M+Na-2H]- 172.055536 132.1
[M]+ 151.08032142 122.8
[M]- 151.08141858 122.8
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