CID 23659740

101968-85-8

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)[C@@H](C(=O)O)NC(=O)NC(C)(C)C
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1
InChIKey
RAAPXVRHYBAJQU-SSDOTTSWSA-N
Compound name
(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

230.16304 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.170316 155.2
[M+Na]+ 253.152258 159.2
[M-H]- 229.155764 154.1
[M+NH4]+ 248.196863 172.2
[M+K]+ 269.126198 159.6
[M+H-H2O]+ 213.160300 150.7
[M+HCOO]- 275.161241 173.1
[M+CH3COO]- 289.176891 194.4
[M+Na-2H]- 251.137706 157.8
[M]+ 230.16249142 154.5
[M]- 230.16358858 154.5
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