CID 63906927

3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine

Structural Information

Molecular Formula
C9H14N2S
SMILES
C1CC1C2=CSC(=N2)CCCN
InChI
InChI=1S/C9H14N2S/c10-5-1-2-9-11-8(6-12-9)7-3-4-7/h6-7H,1-5,10H2
InChIKey
PXLZJXXBVBPALL-UHFFFAOYSA-N
Compound name
3-(4-cyclopropyl-1,3-thiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08777 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09505 134.0
[M+Na]+ 205.07699 143.7
[M-H]- 181.08049 140.0
[M+NH4]+ 200.12159 150.0
[M+K]+ 221.05093 139.6
[M+H-H2O]+ 165.08503 127.2
[M+HCOO]- 227.08597 153.9
[M+CH3COO]- 241.10162 184.9
[M+Na-2H]- 203.06244 136.1
[M]+ 182.08722 137.2
[M]- 182.08832 137.2
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.