CID 7019762

2480-96-8

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

78
Patents

246.15796 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16524 158.7
[M+Na]+ 269.14718 163.3
[M+NH4]+ 264.19178 162.6
[M+K]+ 285.12112 161.9
[M-H]- 245.15068 155.4
[M+Na-2H]- 267.13263 158.1
[M]+ 246.15741 157.7
[M]- 246.15851 157.7
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