CID 85990053

Sodium 2-{[(tert-butoxy)carbonyl]amino}-4-hydroxy-4-methylpentanoate

Structural Information

Molecular Formula
C11H21NO5
SMILES
CC(C)(C)OC(=O)NC(CC(C)(C)O)C(=O)O
InChI
InChI=1S/C11H21NO5/c1-10(2,3)17-9(15)12-7(8(13)14)6-11(4,5)16/h7,16H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKey
WIVLTTKGLJRFJH-UHFFFAOYSA-N
Compound name
4-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14925 156.5
[M+Na]+ 270.13119 160.6
[M-H]- 246.13469 153.9
[M+NH4]+ 265.17579 172.2
[M+K]+ 286.10513 161.2
[M+H-H2O]+ 230.13923 152.3
[M+HCOO]- 292.14017 172.3
[M+CH3COO]- 306.15582 191.8
[M+Na-2H]- 268.11664 158.8
[M]+ 247.14142 157.7
[M]- 247.14252 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

No patent data available for this compound.