CID 235009

92998-54-4

Structural Information

Molecular Formula
C15H29N3O4
SMILES
CC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)O)N
InChI
InChI=1S/C15H29N3O4/c1-7(2)10(16)13(19)17-11(8(3)4)14(20)18-12(9(5)6)15(21)22/h7-12H,16H2,1-6H3,(H,17,19)(H,18,20)(H,21,22)
InChIKey
LSLXWOCIIFUZCQ-UHFFFAOYSA-N
Compound name
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

315.21582 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22310 182.0
[M+Na]+ 338.20504 181.5
[M-H]- 314.20854 179.4
[M+NH4]+ 333.24964 193.8
[M+K]+ 354.17898 183.4
[M+H-H2O]+ 298.21308 175.3
[M+HCOO]- 360.21402 196.5
[M+CH3COO]- 374.22967 219.2
[M+Na-2H]- 336.19049 172.5
[M]+ 315.21527 179.0
[M]- 315.21637 179.0
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