CID 43533457

(1-cyclopropylethyl)thiourea

Structural Information

Molecular Formula

C₆H₁₂N₂S

SMILES

CC(C1CC1)NC(=S)N

InChI

InChI=1S/C6H12N2S/c1-4(5-2-3-5)8-6(7)9/h4-5H,2-3H2,1H3,(H3,7,8,9)

InChIKey

KURWPKAMJYNJSU-UHFFFAOYSA-N

Compound name

1-cyclopropylethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 144.07211 Da
Monoisotopic Mass: 0.7
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]+	145.079386	123.9
[M+Na]+	167.061328	131.0
[M-H]-	143.064834	128.0
[M+NH4]+	162.105933	140.1
[M+K]+	183.035268	128.1
[M+H-H2O]+	127.069370	117.6
[M+HCOO]-	189.070311	142.3
[M+CH3COO]-	203.085961	181.9
[M+Na-2H]-	165.046776	126.1
[M]+	144.07156142	123.9
[M]-	144.07265858	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.