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

68
Patents

230.16304 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 155.2
[M+Na]+ 253.15226 159.2
[M-H]- 229.15576 154.1
[M+NH4]+ 248.19686 172.2
[M+K]+ 269.12620 159.6
[M+H-H2O]+ 213.16030 150.7
[M+HCOO]- 275.16124 173.1
[M+CH3COO]- 289.17689 194.4
[M+Na-2H]- 251.13771 157.8
[M]+ 230.16249 154.5
[M]- 230.16359 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