CID 59077105

446060-78-2

Structural Information

Molecular Formula
C8H16INO2
SMILES
C[C@H](CI)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H16INO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKey
CUKVINMIOAQKNB-ZCFIWIBFSA-N
Compound name
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

285.02258 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.029856 156.5
[M+Na]+ 308.011798 155.3
[M-H]- 284.015304 150.2
[M+NH4]+ 303.056403 171.7
[M+K]+ 323.985738 161.5
[M+H-H2O]+ 268.019840 148.1
[M+HCOO]- 330.020781 172.5
[M+CH3COO]- 344.036431 192.3
[M+Na-2H]- 305.997246 147.7
[M]+ 285.02203142 155.3
[M]- 285.02312858 155.3
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