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]+ 331.18636 174.8
[M+Na]+ 353.16830 178.3
[M-H]- 329.17180 176.5
[M+NH4]+ 348.21290 180.8
[M+K]+ 369.14224 176.2
[M+H-H2O]+ 313.17634 167.8
[M+HCOO]- 375.17728 191.3
[M+CH3COO]- 389.19293 214.3
[M+Na-2H]- 351.15375 172.6
[M]+ 330.17853 180.0
[M]- 330.17963 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.