CID 459326

4-allylaminosalicylic acid

Structural Information

Molecular Formula
C10H11NO3
SMILES
C=CCNC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C10H11NO3/c1-2-5-11-7-3-4-8(10(13)14)9(12)6-7/h2-4,6,11-12H,1,5H2,(H,13,14)
InChIKey
XQHIHFJGEQVTGB-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(prop-2-enylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.0739 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 140.1
[M+Na]+ 216.06312 147.3
[M-H]- 192.06662 141.4
[M+NH4]+ 211.10772 158.0
[M+K]+ 232.03706 144.2
[M+H-H2O]+ 176.07116 134.5
[M+HCOO]- 238.07210 162.3
[M+CH3COO]- 252.08775 181.8
[M+Na-2H]- 214.04857 144.4
[M]+ 193.07335 138.8
[M]- 193.07445 138.8
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