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

19
Patents

157.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.063416 131.8
[M+Na]+ 180.045358 140.1
[M-H]- 156.048864 133.0
[M+NH4]+ 175.089963 153.3
[M+K]+ 196.019298 137.7
[M+H-H2O]+ 140.053400 126.1
[M+HCOO]- 202.054341 150.0
[M+CH3COO]- 216.069991 171.3
[M+Na-2H]- 178.030806 134.6
[M]+ 157.05559142 134.1
[M]- 157.05668858 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