CID 116507545

3-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]thiourea

Structural Information

Molecular Formula
C8H17N3S
SMILES
CNC(=S)NCC1CCN(C1)C
InChI
InChI=1S/C8H17N3S/c1-9-8(12)10-5-7-3-4-11(2)6-7/h7H,3-6H2,1-2H3,(H2,9,10,12)
InChIKey
GHJQAFGEFMLWKR-UHFFFAOYSA-N
Compound name
1-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11432 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12160 143.1
[M+Na]+ 210.10354 148.5
[M-H]- 186.10704 145.0
[M+NH4]+ 205.14814 163.4
[M+K]+ 226.07748 146.3
[M+H-H2O]+ 170.11158 136.4
[M+HCOO]- 232.11252 160.3
[M+CH3COO]- 246.12817 185.0
[M+Na-2H]- 208.08899 143.1
[M]+ 187.11377 140.6
[M]- 187.11487 140.6
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

No patent data available for this compound.