CID 24274474

2-(5-methyl-1,3-thiazol-2-yl)propan-1-amine

Structural Information

Molecular Formula
C7H12N2S
SMILES
CC1=CN=C(S1)C(C)CN
InChI
InChI=1S/C7H12N2S/c1-5(3-8)7-9-4-6(2)10-7/h4-5H,3,8H2,1-2H3
InChIKey
ZJLXFBTVZCKTQT-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 132.4
[M+Na]+ 179.06133 140.9
[M-H]- 155.06483 134.9
[M+NH4]+ 174.10593 154.3
[M+K]+ 195.03527 138.8
[M+H-H2O]+ 139.06937 126.4
[M+HCOO]- 201.07031 151.1
[M+CH3COO]- 215.08596 178.0
[M+Na-2H]- 177.04678 133.3
[M]+ 156.07156 133.1
[M]- 156.07266 133.1
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