CID 7019762

L-ornithine, n5-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, hydrochloride (1:1)

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CC(C)(C)OC(=O)NCCC[C@@H](C(=O)OC)N
InChI
InChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)13-7-5-6-8(12)9(14)16-4/h8H,5-7,12H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKey
HCMFAYWIEPRVJR-QMMMGPOBSA-N
Compound name
methyl (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

246.15796 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.165236 159.7
[M+Na]+ 269.147178 163.5
[M-H]- 245.150684 159.0
[M+NH4]+ 264.191783 176.2
[M+K]+ 285.121118 164.4
[M+H-H2O]+ 229.155220 153.8
[M+HCOO]- 291.156161 180.1
[M+CH3COO]- 305.171811 198.0
[M+Na-2H]- 267.132626 160.7
[M]+ 246.15741142 161.7
[M]- 246.15850858 161.7
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