CID 23041969

(1-methylpiperidin-4-yl)thiourea

Structural Information

Molecular Formula
C7H15N3S
SMILES
CN1CCC(CC1)NC(=S)N
InChI
InChI=1S/C7H15N3S/c1-10-4-2-6(3-5-10)9-7(8)11/h6H,2-5H2,1H3,(H3,8,9,11)
InChIKey
MSTNCTVIENDXHQ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

173.09866 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10594 137.5
[M+Na]+ 196.08788 142.2
[M-H]- 172.09138 138.6
[M+NH4]+ 191.13248 156.1
[M+K]+ 212.06182 139.6
[M+H-H2O]+ 156.09592 130.9
[M+HCOO]- 218.09686 152.2
[M+CH3COO]- 232.11251 182.3
[M+Na-2H]- 194.07333 138.4
[M]+ 173.09811 131.6
[M]- 173.09921 131.6
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

patents stripe