CID 43349413

475489-74-8

Structural Information

Molecular Formula
C10H16N2
SMILES
CCCNC1=C(C=C(C=C1)C)N
InChI
InChI=1S/C10H16N2/c1-3-6-12-10-5-4-8(2)7-9(10)11/h4-5,7,12H,3,6,11H2,1-2H3
InChIKey
QWTCJUZMGJVUOP-UHFFFAOYSA-N
Compound name
4-methyl-1-N-propylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

164.13135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 136.5
[M+Na]+ 187.12057 143.7
[M-H]- 163.12407 140.0
[M+NH4]+ 182.16517 156.9
[M+K]+ 203.09451 141.1
[M+H-H2O]+ 147.12861 130.5
[M+HCOO]- 209.12955 162.1
[M+CH3COO]- 223.14520 185.7
[M+Na-2H]- 185.10602 142.3
[M]+ 164.13080 135.0
[M]- 164.13190 135.0
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