CID 62402846

Methyl[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]amine

Structural Information

Molecular Formula
C9H16N2S
SMILES
CCCC1=NC(=C(S1)CNC)C
InChI
InChI=1S/C9H16N2S/c1-4-5-9-11-7(2)8(12-9)6-10-3/h10H,4-6H2,1-3H3
InChIKey
JYHFYPHSPOGSBL-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10342 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11070 139.9
[M+Na]+ 207.09264 148.8
[M-H]- 183.09614 142.8
[M+NH4]+ 202.13724 161.4
[M+K]+ 223.06658 146.0
[M+H-H2O]+ 167.10068 133.8
[M+HCOO]- 229.10162 159.6
[M+CH3COO]- 243.11727 185.0
[M+Na-2H]- 205.07809 141.3
[M]+ 184.10287 143.4
[M]- 184.10397 143.4
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.