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]+ 183.095046 134.0
[M+Na]+ 205.076988 143.7
[M-H]- 181.080494 140.0
[M+NH4]+ 200.121593 150.0
[M+K]+ 221.050928 139.6
[M+H-H2O]+ 165.085030 127.2
[M+HCOO]- 227.085971 153.9
[M+CH3COO]- 241.101621 184.9
[M+Na-2H]- 203.062436 136.1
[M]+ 182.08722142 137.2
[M]- 182.08831858 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.