CID 413434

3-phenylpropane-1,2-diamine

Structural Information

Molecular Formula
C9H14N2
SMILES
C1=CC=C(C=C1)CC(CN)N
InChI
InChI=1S/C9H14N2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9H,6-7,10-11H2
InChIKey
CXFFQOZYXJHZNJ-UHFFFAOYSA-N
Compound name
3-phenylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

574
Patents

150.11569 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 133.1
[M+Na]+ 173.10491 138.6
[M-H]- 149.10841 135.5
[M+NH4]+ 168.14951 153.1
[M+K]+ 189.07885 136.3
[M+H-H2O]+ 133.11295 126.9
[M+HCOO]- 195.11389 157.5
[M+CH3COO]- 209.12954 180.6
[M+Na-2H]- 171.09036 138.5
[M]+ 150.11514 128.8
[M]- 150.11624 128.8
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