CID 3059769

77234-61-8

Structural Information

Molecular Formula
C11H13N3O
SMILES
C1=CC(=CC=C1C(CN2C=CN=C2)O)N
InChI
InChI=1S/C11H13N3O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7,12H2
InChIKey
FJBFZIWISRAEOF-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

203.10587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 144.0
[M+Na]+ 226.09509 151.2
[M-H]- 202.09859 146.6
[M+NH4]+ 221.13969 160.7
[M+K]+ 242.06903 147.6
[M+H-H2O]+ 186.10313 135.8
[M+HCOO]- 248.10407 165.8
[M+CH3COO]- 262.11972 184.0
[M+Na-2H]- 224.08054 148.3
[M]+ 203.10532 141.5
[M]- 203.10642 141.5
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