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]+ 286.02986 156.5
[M+Na]+ 308.01180 155.3
[M-H]- 284.01530 150.2
[M+NH4]+ 303.05640 171.7
[M+K]+ 323.98574 161.5
[M+H-H2O]+ 268.01984 148.1
[M+HCOO]- 330.02078 172.5
[M+CH3COO]- 344.03643 192.3
[M+Na-2H]- 305.99725 147.7
[M]+ 285.02203 155.3
[M]- 285.02313 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