CID 134400574

4-{[(1s)-1-carbamoyl-2-methylpropyl]carbamoyl}butanoic acid

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)CCCC(=O)O
InChI
InChI=1S/C10H18N2O4/c1-6(2)9(10(11)16)12-7(13)4-3-5-8(14)15/h6,9H,3-5H2,1-2H3,(H2,11,16)(H,12,13)(H,14,15)/t9-/m0/s1
InChIKey
LUFYPPYRGKVSBM-VIFPVBQESA-N
Compound name
5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

230.12666 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 155.2
[M+Na]+ 253.11588 158.2
[M-H]- 229.11938 153.0
[M+NH4]+ 248.16048 171.0
[M+K]+ 269.08982 158.4
[M+H-H2O]+ 213.12392 149.0
[M+HCOO]- 275.12486 174.1
[M+CH3COO]- 289.14051 195.4
[M+Na-2H]- 251.10133 152.6
[M]+ 230.12611 153.6
[M]- 230.12721 153.6
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