CID 55275370

5-[(1r)-1-aminoethyl]-2-methylanilinehydrochloride

Structural Information

Molecular Formula
C9H14N2
SMILES
CC1=C(C=C(C=C1)[C@@H](C)N)N
InChI
InChI=1S/C9H14N2/c1-6-3-4-8(7(2)10)5-9(6)11/h3-5,7H,10-11H2,1-2H3/t7-/m1/s1
InChIKey
OYVZYIJAXIICPA-SSDOTTSWSA-N
Compound name
5-[(1R)-1-aminoethyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.11569 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 133.1
[M+Na]+ 173.10491 140.5
[M-H]- 149.10841 136.4
[M+NH4]+ 168.14951 153.8
[M+K]+ 189.07885 138.3
[M+H-H2O]+ 133.11295 127.5
[M+HCOO]- 195.11389 157.5
[M+CH3COO]- 209.12954 182.9
[M+Na-2H]- 171.09036 137.1
[M]+ 150.11514 129.6
[M]- 150.11624 129.6
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

No patent data available for this compound.