CID 722813

21198-18-5

Structural Information

Molecular Formula
C7H15N3S
SMILES
C1CCC(CC1)NC(=S)NN
InChI
InChI=1S/C7H15N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h6H,1-5,8H2,(H2,9,10,11)
InChIKey
LVEUHPMMNLURRJ-UHFFFAOYSA-N
Compound name
1-amino-3-cyclohexylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

61
Patents

173.09866 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10594 136.1
[M+Na]+ 196.08788 139.0
[M-H]- 172.09138 138.1
[M+NH4]+ 191.13248 155.2
[M+K]+ 212.06182 136.4
[M+H-H2O]+ 156.09592 129.6
[M+HCOO]- 218.09686 152.9
[M+CH3COO]- 232.11251 183.0
[M+Na-2H]- 194.07333 138.2
[M]+ 173.09811 128.4
[M]- 173.09921 128.4
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