CID 3415764

(1-amino-3-phenylpropan-2-yl)dimethylamine

Structural Information

Molecular Formula
C11H18N2
SMILES
CN(C)C(CC1=CC=CC=C1)CN
InChI
InChI=1S/C11H18N2/c1-13(2)11(9-12)8-10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3
InChIKey
UNKNAPRNXOMOJQ-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

71
Patents

178.147 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 142.5
[M+Na]+ 201.136218 147.2
[M-H]- 177.139724 146.6
[M+NH4]+ 196.180823 162.2
[M+K]+ 217.110158 146.2
[M+H-H2O]+ 161.144260 135.6
[M+HCOO]- 223.145201 167.3
[M+CH3COO]- 237.160851 190.8
[M+Na-2H]- 199.121666 147.1
[M]+ 178.14645142 141.2
[M]- 178.14754858 141.2
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