CID 3034928

Pseudourea, 2-(3-aminopropyl)-3-methyl-2-thio-, dihydrobromide

Structural Information

Molecular Formula
C5H13N3S
SMILES
CNC(=S)NCCCN
InChI
InChI=1S/C5H13N3S/c1-7-5(9)8-4-2-3-6/h2-4,6H2,1H3,(H2,7,8,9)
InChIKey
PQFMNPXSQKXNRV-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

147.08302 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.090296 131.0
[M+Na]+ 170.072238 136.2
[M-H]- 146.075744 130.7
[M+NH4]+ 165.116843 151.6
[M+K]+ 186.046178 134.1
[M+H-H2O]+ 130.080280 124.9
[M+HCOO]- 192.081221 150.8
[M+CH3COO]- 206.096871 180.6
[M+Na-2H]- 168.057686 133.6
[M]+ 147.08247142 128.8
[M]- 147.08356858 128.8
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

patents stripe