CID 9818894

Am4299 a

Structural Information

Molecular Formula
C15H26N2O6
SMILES
CC(C)C[C@@H](C(=O)NCCCCCO)NC(=O)C1C(O1)C(=O)O
InChI
InChI=1S/C15H26N2O6/c1-9(2)8-10(13(19)16-6-4-3-5-7-18)17-14(20)11-12(23-11)15(21)22/h9-12,18H,3-8H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)/t10-,11?,12?/m0/s1
InChIKey
QFOWBXOSFNTBJZ-UNXYVOJBSA-N
Compound name
3-[[(2S)-1-(5-hydroxypentylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

330.17908 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.186356 174.8
[M+Na]+ 353.168298 178.3
[M-H]- 329.171804 176.5
[M+NH4]+ 348.212903 180.8
[M+K]+ 369.142238 176.2
[M+H-H2O]+ 313.176340 167.8
[M+HCOO]- 375.177281 191.3
[M+CH3COO]- 389.192931 214.3
[M+Na-2H]- 351.153746 172.6
[M]+ 330.17853142 180.0
[M]- 330.17962858 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe