CID 3055608

72649-63-9

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1=CC(=C(C(=C1C)C(C2=NCCN2)O)C)C
InChI
InChI=1S/C14H20N2O/c1-8-7-9(2)11(4)12(10(8)3)13(17)14-15-5-6-16-14/h7,13,17H,5-6H2,1-4H3,(H,15,16)
InChIKey
KNLSOHLGHUYIIR-UHFFFAOYSA-N
Compound name
4,5-dihydro-1H-imidazol-2-yl-(2,3,5,6-tetramethylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 155.7
[M+Na]+ 255.146778 163.8
[M-H]- 231.150284 157.7
[M+NH4]+ 250.191383 172.1
[M+K]+ 271.120718 159.3
[M+H-H2O]+ 215.154820 148.6
[M+HCOO]- 277.155761 173.0
[M+CH3COO]- 291.171411 190.0
[M+Na-2H]- 253.132226 155.2
[M]+ 232.15701142 153.9
[M]- 232.15810858 153.9
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

No patent data available for this compound.