CID 13049

Benzyl alcohol, p-amino-alpha-(1-(methylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC(C(C1=CC=C(C=C1)N)O)NC
InChI
InChI=1S/C10H16N2O/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,10,12-13H,11H2,1-2H3
InChIKey
MTVJUNUPGNAWSW-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-2-(methylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 141.5
[M+Na]+ 203.11549 146.7
[M-H]- 179.11899 143.3
[M+NH4]+ 198.16009 160.0
[M+K]+ 219.08943 144.8
[M+H-H2O]+ 163.12353 135.4
[M+HCOO]- 225.12447 163.9
[M+CH3COO]- 239.14012 185.9
[M+Na-2H]- 201.10094 144.9
[M]+ 180.12572 137.9
[M]- 180.12682 137.9
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