CID 120120

Einecs 249-390-6

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=CC(=C(C=C1)NC(=O)N)O
InChI
InChI=1S/C8H10N2O2/c1-5-2-3-6(7(11)4-5)10-8(9)12/h2-4,11H,1H3,(H3,9,10,12)
InChIKey
RDWSVHLVSMKYOC-UHFFFAOYSA-N
Compound name
(2-hydroxy-4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

166.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.6
[M+Na]+ 189.063448 141.2
[M-H]- 165.066954 136.2
[M+NH4]+ 184.108053 153.0
[M+K]+ 205.037388 139.1
[M+H-H2O]+ 149.071490 127.9
[M+HCOO]- 211.072431 158.0
[M+CH3COO]- 225.088081 180.7
[M+Na-2H]- 187.048896 138.6
[M]+ 166.07368142 130.9
[M]- 166.07477858 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe