CID 130171

N(sup 6)-(iodoacetyl)-l-lysine

Structural Information

Molecular Formula
C8H15IN2O3
SMILES
C(CCNC(=O)CI)C[C@@H](C(=O)O)N
InChI
InChI=1S/C8H15IN2O3/c9-5-7(12)11-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKey
PEVDSQTZJOGTKZ-LURJTMIESA-N
Compound name
(2S)-2-amino-6-[(2-iodoacetyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

146
Patents

314.01273 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02001 168.1
[M+Na]+ 337.00195 164.9
[M-H]- 313.00545 159.5
[M+NH4]+ 332.04655 180.2
[M+K]+ 352.97589 169.8
[M+H-H2O]+ 297.00999 158.2
[M+HCOO]- 359.01093 183.6
[M+CH3COO]- 373.02658 197.0
[M+Na-2H]- 334.98740 155.5
[M]+ 314.01218 163.8
[M]- 314.01328 163.8
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