CID 53534946

2-(1,3-thiazol-2-yl)butan-2-amine

Structural Information

Molecular Formula
C7H12N2S
SMILES
CCC(C)(C1=NC=CS1)N
InChI
InChI=1S/C7H12N2S/c1-3-7(2,8)6-9-4-5-10-6/h4-5H,3,8H2,1-2H3
InChIKey
LHOUXQYEKFBUQT-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.079386 133.3
[M+Na]+ 179.061328 141.6
[M-H]- 155.064834 135.6
[M+NH4]+ 174.105933 155.1
[M+K]+ 195.035268 139.5
[M+H-H2O]+ 139.069370 127.5
[M+HCOO]- 201.070311 151.5
[M+CH3COO]- 215.085961 176.3
[M+Na-2H]- 177.046776 136.6
[M]+ 156.07156142 133.7
[M]- 156.07265858 133.7
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.