CID 18612358

885279-02-7

Structural Information

Molecular Formula
C5H8N2S
SMILES
CC(C1=CSC=N1)N
InChI
InChI=1S/C5H8N2S/c1-4(6)5-2-8-3-7-5/h2-4H,6H2,1H3
InChIKey
QNBSQSRLKMIEAH-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

128.04082 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.048096 123.7
[M+Na]+ 151.030038 132.2
[M-H]- 127.033544 126.2
[M+NH4]+ 146.074643 146.4
[M+K]+ 167.003978 130.7
[M+H-H2O]+ 111.038080 117.8
[M+HCOO]- 173.039021 143.1
[M+CH3COO]- 187.054671 170.8
[M+Na-2H]- 149.015486 126.3
[M]+ 128.04027142 123.3
[M]- 128.04136858 123.3
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

patents stripe