CID 87349698

Glutamyl-norvaline

Structural Information

Molecular Formula
C10H18N2O5
SMILES
CCC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H18N2O5/c1-2-3-7(10(16)17)12-8(13)5-4-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
InChIKey
LIOSSUQSHOGXEF-BQBZGAKWSA-N
Compound name
(2S)-2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

246.12157 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12885 157.7
[M+Na]+ 269.11079 160.1
[M-H]- 245.11429 154.0
[M+NH4]+ 264.15539 172.0
[M+K]+ 285.08473 160.1
[M+H-H2O]+ 229.11883 151.4
[M+HCOO]- 291.11977 175.3
[M+CH3COO]- 305.13542 195.4
[M+Na-2H]- 267.09624 154.7
[M]+ 246.12102 155.6
[M]- 246.12212 155.6
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