CID 506098

Benzoic acid, 3-[(aminoiminomethyl)amino]-4-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1=CC(=C(C=C1C(=O)O)N=C(N)N)CCO
InChI
InChI=1S/C10H13N3O3/c11-10(12)13-8-5-7(9(15)16)2-1-6(8)3-4-14/h1-2,5,14H,3-4H2,(H,15,16)(H4,11,12,13)
InChIKey
XAOFJRFYOBZCFY-UHFFFAOYSA-N
Compound name
3-(diaminomethylideneamino)-4-(2-hydroxyethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.09569 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 148.7
[M+Na]+ 246.08491 154.3
[M-H]- 222.08841 150.3
[M+NH4]+ 241.12951 164.7
[M+K]+ 262.05885 152.2
[M+H-H2O]+ 206.09295 141.8
[M+HCOO]- 268.09389 172.1
[M+CH3COO]- 282.10954 194.1
[M+Na-2H]- 244.07036 150.6
[M]+ 223.09514 145.0
[M]- 223.09624 145.0
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

No patent data available for this compound.