CID 61150194

N1-phenylhexane-1,2-diamine

Structural Information

Molecular Formula
C12H20N2
SMILES
CCCCC(CNC1=CC=CC=C1)N
InChI
InChI=1S/C12H20N2/c1-2-3-7-11(13)10-14-12-8-5-4-6-9-12/h4-6,8-9,11,14H,2-3,7,10,13H2,1H3
InChIKey
XRDZGTPHKLAIFK-UHFFFAOYSA-N
Compound name
1-N-phenylhexane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

192.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 146.4
[M+Na]+ 215.15186 150.5
[M-H]- 191.15536 148.8
[M+NH4]+ 210.19646 164.9
[M+K]+ 231.12580 147.9
[M+H-H2O]+ 175.15990 139.5
[M+HCOO]- 237.16084 170.4
[M+CH3COO]- 251.17649 190.4
[M+Na-2H]- 213.13731 151.3
[M]+ 192.16209 144.2
[M]- 192.16319 144.2
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