CID 137935709

2253632-49-2

Structural Information

Molecular Formula
C13H19F2NO4
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CC(C2)(F)F)C(=O)O
InChI
InChI=1S/C13H19F2NO4/c1-10(2,3)20-9(19)16-12(8(17)18)4-11(5-12)6-13(14,15)7-11/h4-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
GJJOLUMUMRFDEH-UHFFFAOYSA-N
Compound name
2,2-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1282 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13548 171.2
[M+Na]+ 314.11742 174.2
[M-H]- 290.12092 172.9
[M+NH4]+ 309.16202 178.1
[M+K]+ 330.09136 178.5
[M+H-H2O]+ 274.12546 159.1
[M+HCOO]- 336.12640 182.9
[M+CH3COO]- 350.14205 209.4
[M+Na-2H]- 312.10287 173.3
[M]+ 291.12765 184.9
[M]- 291.12875 184.9
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.