CID 154814393

2551115-71-8

Structural Information

Molecular Formula
C8H13ClN2S
SMILES
CC(C)CNCC1=CN=C(S1)Cl
InChI
InChI=1S/C8H13ClN2S/c1-6(2)3-10-4-7-5-11-8(9)12-7/h5-6,10H,3-4H2,1-2H3
InChIKey
LDNFPZJTNYRFAX-UHFFFAOYSA-N
Compound name
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0488 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05608 143.3
[M+Na]+ 227.03802 151.9
[M-H]- 203.04152 146.0
[M+NH4]+ 222.08262 164.3
[M+K]+ 243.01196 148.0
[M+H-H2O]+ 187.04606 137.7
[M+HCOO]- 249.04700 157.6
[M+CH3COO]- 263.06265 185.5
[M+Na-2H]- 225.02347 144.1
[M]+ 204.04825 147.0
[M]- 204.04935 147.0
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

No patent data available for this compound.