CID 9570724

63884-77-5

Structural Information

Molecular Formula
C10H21N3S
SMILES
CCC(C)(C)C(C)C/C=N/NC(=S)N
InChI
InChI=1S/C10H21N3S/c1-5-10(3,4)8(2)6-7-12-13-9(11)14/h7-8H,5-6H2,1-4H3,(H3,11,13,14)/b12-7+
InChIKey
VPZPJMBRIGXSBI-KPKJPENVSA-N
Compound name
[(E)-3,4,4-trimethylhexylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14561 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15289 153.2
[M+Na]+ 238.13483 157.1
[M-H]- 214.13833 153.8
[M+NH4]+ 233.17943 171.8
[M+K]+ 254.10877 155.0
[M+H-H2O]+ 198.14287 146.7
[M+HCOO]- 260.14381 170.5
[M+CH3COO]- 274.15946 198.4
[M+Na-2H]- 236.12028 153.4
[M]+ 215.14506 152.9
[M]- 215.14616 152.9
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.