CID 139026692

2361635-29-0

Structural Information

Molecular Formula
C8H11F2NO2
SMILES
C1C2(CC1(C(=O)O)N)CC(C2)(F)F
InChI
InChI=1S/C8H11F2NO2/c9-8(10)3-6(4-8)1-7(11,2-6)5(12)13/h1-4,11H2,(H,12,13)
InChIKey
KWCFYKRYJFDNRO-UHFFFAOYSA-N
Compound name
6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07579 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08307 144.0
[M+Na]+ 214.06501 149.2
[M-H]- 190.06851 146.2
[M+NH4]+ 209.10961 154.5
[M+K]+ 230.03895 152.4
[M+H-H2O]+ 174.07305 132.2
[M+HCOO]- 236.07399 158.7
[M+CH3COO]- 250.08964 193.5
[M+Na-2H]- 212.05046 147.7
[M]+ 191.07524 154.7
[M]- 191.07634 154.7
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.