CID 3017084

4-(propylthio)benzene-1,2-diamine hydrochloride

Structural Information

Molecular Formula
C9H14N2S
SMILES
CCCSC1=CC(=C(C=C1)N)N
InChI
InChI=1S/C9H14N2S/c1-2-5-12-7-3-4-8(10)9(11)6-7/h3-4,6H,2,5,10-11H2,1H3
InChIKey
YXXYBJDTATZCOJ-UHFFFAOYSA-N
Compound name
4-propylsulfanylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

182.08777 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.095046 137.7
[M+Na]+ 205.076988 145.4
[M-H]- 181.080494 140.7
[M+NH4]+ 200.121593 157.6
[M+K]+ 221.050928 141.3
[M+H-H2O]+ 165.085030 131.6
[M+HCOO]- 227.085971 157.4
[M+CH3COO]- 241.101621 185.8
[M+Na-2H]- 203.062436 139.8
[M]+ 182.08722142 136.9
[M]- 182.08831858 136.9
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