CID 46785177

Cyclopropyl(4-methyl-1,3-thiazol-2-yl)methanamine

Structural Information

Molecular Formula
C8H12N2S
SMILES
CC1=CSC(=N1)C(C2CC2)N
InChI
InChI=1S/C8H12N2S/c1-5-4-11-8(10-5)7(9)6-2-3-6/h4,6-7H,2-3,9H2,1H3
InChIKey
PGQDIESBAMNFIY-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.079386 130.1
[M+Na]+ 191.061328 139.9
[M-H]- 167.064834 136.3
[M+NH4]+ 186.105933 146.5
[M+K]+ 207.035268 136.3
[M+H-H2O]+ 151.069370 123.5
[M+HCOO]- 213.070311 149.2
[M+CH3COO]- 227.085961 182.8
[M+Na-2H]- 189.046776 131.6
[M]+ 168.07156142 132.3
[M]- 168.07265858 132.3
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.