CID 718838

55040-11-4

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C2C(=C1)C(=NC=N2)NCC(=O)O
InChI
InChI=1S/C10H9N3O2/c14-9(15)5-11-10-7-3-1-2-4-8(7)12-6-13-10/h1-4,6H,5H2,(H,14,15)(H,11,12,13)
InChIKey
GQLYDNMTAYXPLC-UHFFFAOYSA-N
Compound name
2-(quinazolin-4-ylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.06947 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 141.0
[M+Na]+ 226.05869 149.0
[M-H]- 202.06219 141.7
[M+NH4]+ 221.10329 157.3
[M+K]+ 242.03263 145.7
[M+H-H2O]+ 186.06673 133.3
[M+HCOO]- 248.06767 161.7
[M+CH3COO]- 262.08332 184.8
[M+Na-2H]- 224.04414 150.3
[M]+ 203.06892 140.5
[M]- 203.07002 140.5
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