CID 87653

18453-07-1

Structural Information

Molecular Formula
C5H8N2S
SMILES
C1=CSC(=N1)CCN
InChI
InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2
InChIKey
TWZOYAWHWDRMEZ-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

58
References

756
Patents

128.04082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.048096 122.7
[M+Na]+ 151.030038 131.6
[M-H]- 127.033544 125.1
[M+NH4]+ 146.074643 145.5
[M+K]+ 167.003978 129.6
[M+H-H2O]+ 111.038080 116.8
[M+HCOO]- 173.039021 143.2
[M+CH3COO]- 187.054671 170.0
[M+Na-2H]- 149.015486 126.5
[M]+ 128.04027142 123.0
[M]- 128.04136858 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe