CID 61614270

(2-amino-1-phenylpropyl)dimethylamine

Structural Information

Molecular Formula
C11H18N2
SMILES
CC(C(C1=CC=CC=C1)N(C)C)N
InChI
InChI=1S/C11H18N2/c1-9(12)11(13(2)3)10-7-5-4-6-8-10/h4-9,11H,12H2,1-3H3
InChIKey
LMTBPLOIFJDYEV-UHFFFAOYSA-N
Compound name
1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.147 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 143.0
[M+Na]+ 201.13622 147.5
[M-H]- 177.13972 147.2
[M+NH4]+ 196.18082 162.7
[M+K]+ 217.11016 147.0
[M+H-H2O]+ 161.14426 136.3
[M+HCOO]- 223.14520 166.8
[M+CH3COO]- 237.16085 191.7
[M+Na-2H]- 199.12167 146.3
[M]+ 178.14645 141.1
[M]- 178.14755 141.1
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