CID 23251108

774234-25-2

Structural Information

Molecular Formula
C9H16INO2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)I
InChI
InChI=1S/C9H16INO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3
InChIKey
CFTPTQLIAIOWLK-UHFFFAOYSA-N
Compound name
tert-butyl 3-iodopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

297.02258 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02986 151.6
[M+Na]+ 320.01180 151.3
[M-H]- 296.01530 146.8
[M+NH4]+ 315.05640 167.1
[M+K]+ 335.98574 156.7
[M+H-H2O]+ 280.01984 142.7
[M+HCOO]- 342.02078 165.7
[M+CH3COO]- 356.03643 189.6
[M+Na-2H]- 317.99725 142.1
[M]+ 297.02203 148.7
[M]- 297.02313 148.7
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.