CID 199923

2-phenylpropane-1,2-diamine

Structural Information

Molecular Formula
C9H14N2
SMILES
CC(CN)(C1=CC=CC=C1)N
InChI
InChI=1S/C9H14N2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6H,7,10-11H2,1H3
InChIKey
QWTBDURSHGHHTA-UHFFFAOYSA-N
Compound name
2-phenylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

144
Patents

150.11569 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.5
[M+Na]+ 173.10491 138.7
[M-H]- 149.10841 135.2
[M+NH4]+ 168.14951 152.7
[M+K]+ 189.07885 136.4
[M+H-H2O]+ 133.11295 126.9
[M+HCOO]- 195.11389 156.3
[M+CH3COO]- 209.12954 180.1
[M+Na-2H]- 171.09036 139.8
[M]+ 150.11514 128.4
[M]- 150.11624 128.4
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