CID 57033000

4-(1,3-thiazol-2-yl)butan-1-ol

Structural Information

Molecular Formula
C7H11NOS
SMILES
C1=CSC(=N1)CCCCO
InChI
InChI=1S/C7H11NOS/c9-5-2-1-3-7-8-4-6-10-7/h4,6,9H,1-3,5H2
InChIKey
IWSIMWMUVCCGDY-UHFFFAOYSA-N
Compound name
4-(1,3-thiazol-2-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

157.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 131.8
[M+Na]+ 180.04536 140.1
[M-H]- 156.04886 133.0
[M+NH4]+ 175.08996 153.3
[M+K]+ 196.01930 137.7
[M+H-H2O]+ 140.05340 126.1
[M+HCOO]- 202.05434 150.0
[M+CH3COO]- 216.06999 171.3
[M+Na-2H]- 178.03081 134.6
[M]+ 157.05559 134.1
[M]- 157.05669 134.1
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