CID 92181

Glycyl-l-tryptophan

Structural Information

Molecular Formula
C13H15N3O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CN
InChI
InChI=1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKey
AJHCSUXXECOXOY-NSHDSACASA-N
Compound name
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

38747
Patents

261.11133 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.118606 157.7
[M+Na]+ 284.100548 163.4
[M-H]- 260.104054 158.0
[M+NH4]+ 279.145153 173.3
[M+K]+ 300.074488 159.8
[M+H-H2O]+ 244.108590 150.6
[M+HCOO]- 306.109531 178.1
[M+CH3COO]- 320.125181 195.5
[M+Na-2H]- 282.085996 160.3
[M]+ 261.11078142 155.7
[M]- 261.11187858 155.7
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