CID 84222

Aminocarb phenol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=C(C=CC(=C1)O)N(C)C
InChI
InChI=1S/C9H13NO/c1-7-6-8(11)4-5-9(7)10(2)3/h4-6,11H,1-3H3
InChIKey
SZBIKNXBDIVHKY-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

151.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 130.6
[M+Na]+ 174.08894 138.8
[M-H]- 150.09244 135.0
[M+NH4]+ 169.13354 152.1
[M+K]+ 190.06288 137.9
[M+H-H2O]+ 134.09698 125.2
[M+HCOO]- 196.09792 155.5
[M+CH3COO]- 210.11357 181.3
[M+Na-2H]- 172.07439 136.5
[M]+ 151.09917 131.4
[M]- 151.10027 131.4
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