CID 135397405

Carbamic acid, n-(3-iodobicyclo[1.1.1]pent-1-yl)-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C10H16INO2
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)I
InChI
InChI=1S/C10H16INO2/c1-8(2,3)14-7(13)12-10-4-9(11,5-10)6-10/h4-6H2,1-3H3,(H,12,13)
InChIKey
MPNNXORJGCGRFJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-iodo-1-bicyclo[1.1.1]pentanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.02258 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02986 173.0
[M+Na]+ 332.01180 170.3
[M-H]- 308.01530 170.8
[M+NH4]+ 327.05640 174.9
[M+K]+ 347.98574 180.4
[M+H-H2O]+ 292.01984 157.7
[M+HCOO]- 354.02078 180.9
[M+CH3COO]- 368.03643 218.8
[M+Na-2H]- 329.99725 169.3
[M]+ 309.02203 194.5
[M]- 309.02313 194.5
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

patents stripe