CID 7018778

Boc-lys(me)2-oh

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCN(C)C)C(=O)O
InChI
InChI=1S/C13H26N2O4/c1-13(2,3)19-12(18)14-10(11(16)17)8-6-7-9-15(4)5/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKey
KPXRFYHPDPDJSY-JTQLQIEISA-N
Compound name
(2S)-6-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

274.18927 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19655 168.1
[M+Na]+ 297.17849 170.9
[M-H]- 273.18199 167.7
[M+NH4]+ 292.22309 183.7
[M+K]+ 313.15243 172.2
[M+H-H2O]+ 257.18653 162.1
[M+HCOO]- 319.18747 187.6
[M+CH3COO]- 333.20312 206.2
[M+Na-2H]- 295.16394 168.1
[M]+ 274.18872 171.5
[M]- 274.18982 171.5
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