CID 19097327

844439-97-0

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(CC(=O)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO4/c1-7(6-8(12)13)11(5)9(14)15-10(2,3)4/h7H,6H2,1-5H3,(H,12,13)
InChIKey
XQHMMBUTUOAXHP-UHFFFAOYSA-N
Compound name
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

217.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.138686 149.6
[M+Na]+ 240.120628 154.6
[M-H]- 216.124134 149.8
[M+NH4]+ 235.165233 167.9
[M+K]+ 256.094568 156.5
[M+H-H2O]+ 200.128670 144.7
[M+HCOO]- 262.129611 169.1
[M+CH3COO]- 276.145261 192.1
[M+Na-2H]- 238.106076 150.9
[M]+ 217.13086142 152.7
[M]- 217.13195858 152.7
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

patents stripe