CID 12009373

N1-propylbenzene-1,3-diamine

Structural Information

Molecular Formula
C9H14N2
SMILES
CCCNC1=CC=CC(=C1)N
InChI
InChI=1S/C9H14N2/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7,11H,2,6,10H2,1H3
InChIKey
VXISGCAONOYOFN-UHFFFAOYSA-N
Compound name
3-N-propylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

150.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 131.8
[M+Na]+ 173.104908 138.5
[M-H]- 149.108414 135.1
[M+NH4]+ 168.149513 152.5
[M+K]+ 189.078848 136.1
[M+H-H2O]+ 133.112950 125.8
[M+HCOO]- 195.113891 157.8
[M+CH3COO]- 209.129541 181.5
[M+Na-2H]- 171.090356 138.9
[M]+ 150.11514142 129.6
[M]- 150.11623858 129.6
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