CID 6426753

33019-84-0

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)C(C)(C)C
InChI
InChI=1S/C11H21NO3/c1-7(2)6-8(9(13)14)12-10(15)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey
OLZMLDKOPZADGZ-QMMMGPOBSA-N
Compound name
(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

215.15215 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 152.3
[M+Na]+ 238.14137 158.0
[M+NH4]+ 233.18597 157.0
[M+K]+ 254.11531 156.6
[M-H]- 214.14487 148.8
[M+Na-2H]- 236.12682 152.0
[M]+ 215.15160 151.6
[M]- 215.15270 151.6
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