CID 22885096

Gamma-glu-ile

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C11H20N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h6-7,9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t6-,7-,9-/m0/s1
InChIKey
SNCKGJWJABDZHI-ZKWXMUAHSA-N
Compound name
(2S,3S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

335
Patents

260.1372 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.144476 162.5
[M+Na]+ 283.126418 164.3
[M-H]- 259.129924 158.7
[M+NH4]+ 278.171023 176.1
[M+K]+ 299.100358 164.7
[M+H-H2O]+ 243.134460 156.2
[M+HCOO]- 305.135401 178.8
[M+CH3COO]- 319.151051 199.4
[M+Na-2H]- 281.111866 157.8
[M]+ 260.13665142 160.1
[M]- 260.13774858 160.1
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