CID 131168974

1935926-03-6

Structural Information

Molecular Formula
C10H15IN2O2
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)I)C#N
InChI
InChI=1S/C10H15IN2O2/c1-10(2,3)15-9(14)13-5-7(4-12)8(11)6-13/h7-8H,5-6H2,1-3H3
InChIKey
LFIJVIAYHHLYBL-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-4-iodopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.01782 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.02510 156.5
[M+Na]+ 345.00704 158.9
[M-H]- 321.01054 152.4
[M+NH4]+ 340.05164 169.6
[M+K]+ 360.98098 162.6
[M+H-H2O]+ 305.01508 141.4
[M+HCOO]- 367.01602 167.7
[M+CH3COO]- 381.03167 205.3
[M+Na-2H]- 342.99249 147.2
[M]+ 322.01727 149.6
[M]- 322.01837 149.6
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.