CID 380714

Nsc666421

Structural Information

Molecular Formula
C9H17N3O
SMILES
CC1(CC(C1=NNC(=O)N)(C)C)C
InChI
InChI=1S/C9H17N3O/c1-8(2)5-9(3,4)6(8)11-12-7(10)13/h5H2,1-4H3,(H3,10,12,13)
InChIKey
XGTRULUXCIJMHX-UHFFFAOYSA-N
Compound name
[(2,2,4,4-tetramethylcyclobutylidene)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.13716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.144436 146.3
[M+Na]+ 206.126378 151.8
[M-H]- 182.129884 151.2
[M+NH4]+ 201.170983 163.3
[M+K]+ 222.100318 154.5
[M+H-H2O]+ 166.134420 137.1
[M+HCOO]- 228.135361 170.2
[M+CH3COO]- 242.151011 195.2
[M+Na-2H]- 204.111826 150.6
[M]+ 183.13661142 153.3
[M]- 183.13770858 153.3
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.