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]+ 247.16524 157.6
[M+Na]+ 269.14718 161.9
[M-H]- 245.15068 157.3
[M+NH4]+ 264.19178 174.3
[M+K]+ 285.12112 163.4
[M+H-H2O]+ 229.15522 152.6
[M+HCOO]- 291.15616 176.6
[M+CH3COO]- 305.17181 198.4
[M+Na-2H]- 267.13263 159.9
[M]+ 246.15741 159.2
[M]- 246.15851 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