CID 737275

13431-39-5

Structural Information

Molecular Formula

C₅H₁₃N₃S

SMILES

CC(C)(C)NC(=S)NN

InChI

InChI=1S/C5H13N3S/c1-5(2,3)7-4(9)8-6/h6H2,1-3H3,(H2,7,8,9)

InChIKey

ZUWRCNZOBNETMU-UHFFFAOYSA-N

Compound name

1-amino-3-tert-butylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 147.08302 Da
Monoisotopic Mass: 0.2
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]+	148.090296	132.3
[M+Na]+	170.072238	137.9
[M-H]-	146.075744	132.3
[M+NH4]+	165.116843	153.0
[M+K]+	186.046178	136.2
[M+H-H2O]+	130.080280	126.8
[M+HCOO]-	192.081221	150.5
[M+CH3COO]-	206.096871	180.1
[M+Na-2H]-	168.057686	135.5
[M]+	147.08247142	129.4
[M]-	147.08356858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe