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

52
Patents

156.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.079386 131.6
[M+Na]+ 179.061328 139.5
[M-H]- 155.064834 133.5
[M+NH4]+ 174.105933 153.2
[M+K]+ 195.035268 137.0
[M+H-H2O]+ 139.069370 125.2
[M+HCOO]- 201.070311 151.4
[M+CH3COO]- 215.085961 176.1
[M+Na-2H]- 177.046776 134.3
[M]+ 156.07156142 132.5
[M]- 156.07265858 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