CID 90133

23501-93-1

Structural Information

Molecular Formula
C9H13NO
SMILES
CN(C)C1=CC=CC(=C1)CO
InChI
InChI=1S/C9H13NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-6,11H,7H2,1-2H3
InChIKey
YTUXZVSDDHCTBZ-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

519
Patents

151.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.2
[M+Na]+ 174.08894 138.4
[M-H]- 150.09244 135.2
[M+NH4]+ 169.13354 152.4
[M+K]+ 190.06288 137.5
[M+H-H2O]+ 134.09698 125.5
[M+HCOO]- 196.09792 156.1
[M+CH3COO]- 210.11357 180.1
[M+Na-2H]- 172.07439 137.8
[M]+ 151.09917 131.6
[M]- 151.10027 131.6
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