CID 913

2-(methylamino)-1-phenylethanol

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

8
References

886
Patents

151.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.2
[M+Na]+ 174.08894 138.0
[M-H]- 150.09244 134.3
[M+NH4]+ 169.13354 152.3
[M+K]+ 190.06288 136.2
[M+H-H2O]+ 134.09698 126.5
[M+HCOO]- 196.09792 155.6
[M+CH3COO]- 210.11357 176.4
[M+Na-2H]- 172.07439 139.0
[M]+ 151.09917 130.3
[M]- 151.10027 130.3
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