CID 214613

33543-61-2

Structural Information

Molecular Formula
C9H13NO
SMILES
CNCCC1=CC(=CC=C1)O
InChI
InChI=1S/C9H13NO/c1-10-6-5-8-3-2-4-9(11)7-8/h2-4,7,10-11H,5-6H2,1H3
InChIKey
ZEWFJYYLEOBCNY-UHFFFAOYSA-N
Compound name
3-[2-(methylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.3
[M+Na]+ 174.08894 138.3
[M-H]- 150.09244 133.7
[M+NH4]+ 169.13354 151.8
[M+K]+ 190.06288 136.0
[M+H-H2O]+ 134.09698 125.7
[M+HCOO]- 196.09792 155.6
[M+CH3COO]- 210.11357 176.6
[M+Na-2H]- 172.07439 138.6
[M]+ 151.09917 130.4
[M]- 151.10027 130.4
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