CID 3089680

N-(perfluoroheptanoyl)-3-aminopropanoic acid

Structural Information

Molecular Formula
C10H6F13NO3
SMILES
C(CNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C10H6F13NO3/c11-5(12,4(27)24-2-1-3(25)26)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-2H2,(H,24,27)(H,25,26)
InChIKey
WRCYUMJBOHRCEH-UHFFFAOYSA-N
Compound name
3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.014 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.02128 180.3
[M+Na]+ 458.00322 179.9
[M+NH4]+ 453.04782 179.1
[M+K]+ 473.97716 179.0
[M-H]- 434.00672 175.5
[M+Na-2H]- 455.98867 178.2
[M]+ 435.01345 178.7
[M]- 435.01455 178.7
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

No patent data available for this compound.