CID 22996654

1233517-91-3

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)C(CNC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H21NO4/c1-7(2)8(9(13)14)6-12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKey
IGJIQZVMCRTQQX-UHFFFAOYSA-N
Compound name
3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

231.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 155.1
[M+Na]+ 254.13628 159.2
[M-H]- 230.13978 153.7
[M+NH4]+ 249.18088 172.1
[M+K]+ 270.11022 160.0
[M+H-H2O]+ 214.14432 150.2
[M+HCOO]- 276.14526 172.7
[M+CH3COO]- 290.16091 192.6
[M+Na-2H]- 252.12173 155.3
[M]+ 231.14651 156.6
[M]- 231.14761 156.6
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