CID 62918041

1-(2,2-difluoroethyl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C6H11F2NO
SMILES
C1CN(CC1O)CC(F)F
InChI
InChI=1S/C6H11F2NO/c7-6(8)4-9-2-1-5(10)3-9/h5-6,10H,1-4H2
InChIKey
GLSFKVZLDBCSSQ-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

151.08087 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08815 129.5
[M+Na]+ 174.07009 136.2
[M-H]- 150.07359 127.4
[M+NH4]+ 169.11469 150.3
[M+K]+ 190.04403 134.9
[M+H-H2O]+ 134.07813 122.1
[M+HCOO]- 196.07907 147.1
[M+CH3COO]- 210.09472 172.6
[M+Na-2H]- 172.05554 131.3
[M]+ 151.08032 123.5
[M]- 151.08142 123.5
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