CID 17931257

4-(1,3-thiazol-2-yl)butan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H12N2S
SMILES
C1=CSC(=N1)CCCCN
InChI
InChI=1S/C7H12N2S/c8-4-2-1-3-7-9-5-6-10-7/h5-6H,1-4,8H2
InChIKey
SYQVPTTZKGJDGY-UHFFFAOYSA-N
Compound name
4-(1,3-thiazol-2-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

156.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 131.6
[M+Na]+ 179.06133 139.5
[M-H]- 155.06483 133.5
[M+NH4]+ 174.10593 153.2
[M+K]+ 195.03527 137.0
[M+H-H2O]+ 139.06937 125.2
[M+HCOO]- 201.07031 151.4
[M+CH3COO]- 215.08596 176.1
[M+Na-2H]- 177.04678 134.3
[M]+ 156.07156 132.5
[M]- 156.07266 132.5
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