CID 165869967

882174-51-8

Structural Information

Molecular Formula
C10H19NO3
SMILES
CC(C)C(C(C)C)(C(=O)O)NC(=O)C
InChI
InChI=1S/C10H19NO3/c1-6(2)10(7(3)4,9(13)14)11-8(5)12/h6-7H,1-5H3,(H,11,12)(H,13,14)
InChIKey
HDTDKZNARQIEHD-UHFFFAOYSA-N
Compound name
2-acetamido-3-methyl-2-propan-2-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13649 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.143766 147.3
[M+Na]+ 224.125708 151.8
[M-H]- 200.129214 146.1
[M+NH4]+ 219.170313 165.4
[M+K]+ 240.099648 152.2
[M+H-H2O]+ 184.133750 142.8
[M+HCOO]- 246.134691 165.0
[M+CH3COO]- 260.150341 188.8
[M+Na-2H]- 222.111156 147.9
[M]+ 201.13594142 147.1
[M]- 201.13703858 147.1
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.