CID 86675804

(2-cyclopropylphenyl)thiourea

Structural Information

Molecular Formula
C10H12N2S
SMILES
C1CC1C2=CC=CC=C2NC(=S)N
InChI
InChI=1S/C10H12N2S/c11-10(13)12-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2,(H3,11,12,13)
InChIKey
XFDMEXSYLXNBIC-UHFFFAOYSA-N
Compound name
(2-cyclopropylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

192.07211 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 132.1
[M+Na]+ 215.06133 140.4
[M-H]- 191.06483 139.3
[M+NH4]+ 210.10593 146.7
[M+K]+ 231.03527 135.7
[M+H-H2O]+ 175.06937 125.5
[M+HCOO]- 237.07031 152.4
[M+CH3COO]- 251.08596 189.2
[M+Na-2H]- 213.04678 135.9
[M]+ 192.07156 132.4
[M]- 192.07266 132.4
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