CID 8428

120-37-6

Structural Information

Molecular Formula
C9H13NO
SMILES
CCNC1=C(C=CC(=C1)O)C
InChI
InChI=1S/C9H13NO/c1-3-10-9-6-8(11)5-4-7(9)2/h4-6,10-11H,3H2,1-2H3
InChIKey
CTGSQPRDMHCIMM-UHFFFAOYSA-N
Compound name
3-(ethylamino)-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1770
Patents

151.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.0
[M+Na]+ 174.08894 139.0
[M-H]- 150.09244 133.9
[M+NH4]+ 169.13354 151.8
[M+K]+ 190.06288 136.7
[M+H-H2O]+ 134.09698 125.7
[M+HCOO]- 196.09792 155.3
[M+CH3COO]- 210.11357 177.8
[M+Na-2H]- 172.07439 137.6
[M]+ 151.09917 130.5
[M]- 151.10027 130.5
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