CID 16217641

3,3-difluoro-2-(2-pyrrolidinylmethyl)acrylic acid

Structural Information

Molecular Formula
C8H11F2NO2
SMILES
C1CC(NC1)CC(=C(F)F)C(=O)O
InChI
InChI=1S/C8H11F2NO2/c9-7(10)6(8(12)13)4-5-2-1-3-11-5/h5,11H,1-4H2,(H,12,13)
InChIKey
AADSEYMFBPZLJU-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-(pyrrolidin-2-ylmethyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.07579 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08307 141.1
[M+Na]+ 214.06501 145.7
[M-H]- 190.06851 137.2
[M+NH4]+ 209.10961 159.0
[M+K]+ 230.03895 143.3
[M+H-H2O]+ 174.07305 133.5
[M+HCOO]- 236.07399 155.2
[M+CH3COO]- 250.08964 176.2
[M+Na-2H]- 212.05046 139.6
[M]+ 191.07524 132.3
[M]- 191.07634 132.3
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