CID 13763415

4-propylbenzene-1,2-diamine

Structural Information

Molecular Formula
C9H14N2
SMILES
CCCC1=CC(=C(C=C1)N)N
InChI
InChI=1S/C9H14N2/c1-2-3-7-4-5-8(10)9(11)6-7/h4-6H,2-3,10-11H2,1H3
InChIKey
ZPZZLBVKKPQYAK-UHFFFAOYSA-N
Compound name
4-propylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

150.11569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.4
[M+Na]+ 173.10491 140.0
[M-H]- 149.10841 135.5
[M+NH4]+ 168.14951 153.1
[M+K]+ 189.07885 137.3
[M+H-H2O]+ 133.11295 126.6
[M+HCOO]- 195.11389 157.7
[M+CH3COO]- 209.12954 182.0
[M+Na-2H]- 171.09036 137.6
[M]+ 150.11514 129.5
[M]- 150.11624 129.5
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