CID 218242

Verbindungen 335 [german]

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCCCN1C=C(N=C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H16N2O/c1-2-3-8-15-9-13(14-10-15)11-4-6-12(16)7-5-11/h4-7,9-10,16H,2-3,8H2,1H3
InChIKey
WYLMHEXTYHPVRI-UHFFFAOYSA-N
Compound name
4-(1-butylimidazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 149.0
[M+Na]+ 239.115488 157.4
[M-H]- 215.118994 151.9
[M+NH4]+ 234.160093 166.2
[M+K]+ 255.089428 153.3
[M+H-H2O]+ 199.123530 140.9
[M+HCOO]- 261.124471 170.6
[M+CH3COO]- 275.140121 186.0
[M+Na-2H]- 237.100936 153.1
[M]+ 216.12572142 149.9
[M]- 216.12681858 149.9
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