CID 1490896

(2-methylanilino)thiourea

Structural Information

Molecular Formula
C8H11N3S
SMILES
CC1=CC=CC=C1NNC(=S)N
InChI
InChI=1S/C8H11N3S/c1-6-4-2-3-5-7(6)10-11-8(9)12/h2-5,10H,1H3,(H3,9,11,12)
InChIKey
YRABENKRWXQGMK-UHFFFAOYSA-N
Compound name
(2-methylanilino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

6
Patents

181.06737 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07465 137.5
[M+Na]+ 204.05659 146.8
[M+NH4]+ 199.10119 146.0
[M+K]+ 220.03053 139.4
[M-H]- 180.06009 141.1
[M+Na-2H]- 202.04204 143.6
[M]+ 181.06682 140.0
[M]- 181.06792 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe