CID 24278411

2648948-22-3

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

CC(C)C1=NC=C(S1)CN

InChI

InChI=1S/C7H12N2S/c1-5(2)7-9-4-6(3-8)10-7/h4-5H,3,8H2,1-2H3

InChIKey

BSJKAPQBFCVVSW-UHFFFAOYSA-N

Compound name

(2-propan-2-yl-1,3-thiazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 156.07211 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.07939	133.1
[M+Na]+	179.06133	143.0
[M+NH4]+	174.10593	141.9
[M+K]+	195.03527	137.4
[M-H]-	155.06483	134.8
[M+Na-2H]-	177.04678	137.6
[M]+	156.07156	135.2
[M]-	156.07266	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe