CID 11572211

L-norvaline, n-[(1s)-2-chloro-1-methyl-2-oxoethyl]-, ethyl ester, hydrochloride (1:1)

Structural Information

Molecular Formula
C10H18ClNO3
SMILES
CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)Cl
InChI
InChI=1S/C10H18ClNO3/c1-4-6-8(10(14)15-5-2)12-7(3)9(11)13/h7-8,12H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKey
LFWQOXJPTLYFLF-YUMQZZPRSA-N
Compound name
ethyl (2S)-2-[[(2S)-1-chloro-1-oxopropan-2-yl]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

235.09752 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10480 153.6
[M+Na]+ 258.08674 158.9
[M-H]- 234.09024 153.5
[M+NH4]+ 253.13134 171.9
[M+K]+ 274.06068 157.4
[M+H-H2O]+ 218.09478 149.1
[M+HCOO]- 280.09572 170.0
[M+CH3COO]- 294.11137 194.8
[M+Na-2H]- 256.07219 153.5
[M]+ 235.09697 157.9
[M]- 235.09807 157.9
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