CID 4962638

N1-propylbenzene-1,2-diamine

Structural Information

Molecular Formula
C9H14N2
SMILES
CCCNC1=CC=CC=C1N
InChI
InChI=1S/C9H14N2/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6,11H,2,7,10H2,1H3
InChIKey
WHVUPKSFLNXRHY-UHFFFAOYSA-N
Compound name
2-N-propylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

83
Patents

150.11569 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 131.8
[M+Na]+ 173.10491 138.5
[M-H]- 149.10841 135.1
[M+NH4]+ 168.14951 152.5
[M+K]+ 189.07885 136.1
[M+H-H2O]+ 133.11295 125.8
[M+HCOO]- 195.11389 157.8
[M+CH3COO]- 209.12954 181.5
[M+Na-2H]- 171.09036 138.9
[M]+ 150.11514 129.6
[M]- 150.11624 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

literature stripe

Patent stripe

patents stripe