CID 55275370

2613299-18-4

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]+ 151.122966 133.1
[M+Na]+ 173.104908 140.5
[M-H]- 149.108414 136.4
[M+NH4]+ 168.149513 153.8
[M+K]+ 189.078848 138.3
[M+H-H2O]+ 133.112950 127.5
[M+HCOO]- 195.113891 157.5
[M+CH3COO]- 209.129541 182.9
[M+Na-2H]- 171.090356 137.1
[M]+ 150.11514142 129.6
[M]- 150.11623858 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.