CID 2795339

(cyclopropylmethyl)thiourea

Structural Information

Molecular Formula

C₅H₁₀N₂S

SMILES

C1CC1CNC(=S)N

InChI

InChI=1S/C5H10N2S/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8)

InChIKey

BHJTYNJTDMRWOT-UHFFFAOYSA-N

Compound name

cyclopropylmethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 130.05647 Da
Monoisotopic Mass: 0.3
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]+	131.06375	119.8
[M+Na]+	153.04569	127.7
[M-H]-	129.04919	124.0
[M+NH4]+	148.09029	136.6
[M+K]+	169.01963	124.5
[M+H-H2O]+	113.05373	113.6
[M+HCOO]-	175.05467	139.5
[M+CH3COO]-	189.07032	178.2
[M+Na-2H]-	151.03114	123.5
[M]+	130.05592	120.1
[M]-	130.05702	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe