CID 43532135

2375268-09-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.147 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe