CID 43559051

2460748-85-8

Structural Information

Molecular Formula
C8H14N2S
SMILES
CCC(C)(C1=NC=C(S1)C)N
InChI
InChI=1S/C8H14N2S/c1-4-8(3,9)7-10-5-6(2)11-7/h5H,4,9H2,1-3H3
InChIKey
XOIBHJHOCXLRAJ-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3-thiazol-2-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.095046 137.5
[M+Na]+ 193.076988 146.2
[M-H]- 169.080494 140.0
[M+NH4]+ 188.121593 159.0
[M+K]+ 209.050928 143.8
[M+H-H2O]+ 153.085030 131.8
[M+HCOO]- 215.085971 155.4
[M+CH3COO]- 229.101621 180.5
[M+Na-2H]- 191.062436 139.7
[M]+ 170.08722142 138.6
[M]- 170.08831858 138.6
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.