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

186
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

literature stripe

Patent stripe

patents stripe