CID 130564556

Methyl[3-(4-methyl-1,3-thiazol-5-yl)propyl]amine dihydrochloride

Structural Information

Molecular Formula
C8H14N2S
SMILES
CC1=C(SC=N1)CCCNC
InChI
InChI=1S/C8H14N2S/c1-7-8(11-6-10-7)4-3-5-9-2/h6,9H,3-5H2,1-2H3
InChIKey
HGRXLJHLKSAWIN-UHFFFAOYSA-N
Compound name
N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09505 135.7
[M+Na]+ 193.07699 144.1
[M-H]- 169.08049 138.4
[M+NH4]+ 188.12159 157.4
[M+K]+ 209.05093 141.7
[M+H-H2O]+ 153.08503 129.4
[M+HCOO]- 215.08597 155.8
[M+CH3COO]- 229.10162 180.8
[M+Na-2H]- 191.06244 138.3
[M]+ 170.08722 138.4
[M]- 170.08832 138.4
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.