CID 7021854

Tyr-gly

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)NCC(=O)O)N)O
InChI
InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKey
HPYDSVWYXXKHRD-VIFPVBQESA-N
Compound name
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

3255
Patents

238.09535 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 152.8
[M+Na]+ 261.08457 157.1
[M-H]- 237.08807 153.0
[M+NH4]+ 256.12917 167.7
[M+K]+ 277.05851 155.3
[M+H-H2O]+ 221.09261 146.0
[M+HCOO]- 283.09355 173.3
[M+CH3COO]- 297.10920 191.9
[M+Na-2H]- 259.07002 153.9
[M]+ 238.09480 149.7
[M]- 238.09590 149.7
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