CID 165944171

2703774-18-7

Structural Information

Molecular Formula
C14H26FN3O4
SMILES
CC(C)(C)OC(=O)N1CC(CN1C(=O)OC(C)(C)C)(CN)F
InChI
InChI=1S/C14H26FN3O4/c1-12(2,3)21-10(19)17-8-14(15,7-16)9-18(17)11(20)22-13(4,5)6/h7-9,16H2,1-6H3
InChIKey
XFNPRYWNCRIJCE-UHFFFAOYSA-N
Compound name
ditert-butyl 4-(aminomethyl)-4-fluoropyrazolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.19073 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.19801 173.6
[M+Na]+ 342.17995 179.6
[M-H]- 318.18345 172.9
[M+NH4]+ 337.22455 189.3
[M+K]+ 358.15389 179.8
[M+H-H2O]+ 302.18799 168.0
[M+HCOO]- 364.18893 187.4
[M+CH3COO]- 378.20458 206.4
[M+Na-2H]- 340.16540 174.6
[M]+ 319.19018 174.1
[M]- 319.19128 174.1
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.