CID 45382265

1093192-07-4

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CC(C)(C)OC(=O)NC(C)(C)[C@@H](C(=O)OC)N
InChI
InChI=1S/C11H22N2O4/c1-10(2,3)17-9(15)13-11(4,5)7(12)8(14)16-6/h7H,12H2,1-6H3,(H,13,15)/t7-/m1/s1
InChIKey
UTWVEOUYCGZORL-SSDOTTSWSA-N
Compound name
methyl (2S)-2-amino-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

246.15796 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.165236 157.6
[M+Na]+ 269.147178 161.9
[M-H]- 245.150684 157.3
[M+NH4]+ 264.191783 174.3
[M+K]+ 285.121118 163.4
[M+H-H2O]+ 229.155220 152.6
[M+HCOO]- 291.156161 176.6
[M+CH3COO]- 305.171811 198.4
[M+Na-2H]- 267.132626 159.9
[M]+ 246.15741142 159.2
[M]- 246.15850858 159.2
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