CID 11769112

29802-24-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

178.147 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 142.5
[M+Na]+ 201.13622 147.2
[M-H]- 177.13972 146.6
[M+NH4]+ 196.18082 162.2
[M+K]+ 217.11016 146.2
[M+H-H2O]+ 161.14426 135.6
[M+HCOO]- 223.14520 167.3
[M+CH3COO]- 237.16085 190.8
[M+Na-2H]- 199.12167 147.1
[M]+ 178.14645 141.2
[M]- 178.14755 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