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]+ 184.14444 146.3
[M+Na]+ 206.12638 151.8
[M-H]- 182.12988 151.2
[M+NH4]+ 201.17098 163.3
[M+K]+ 222.10032 154.5
[M+H-H2O]+ 166.13442 137.1
[M+HCOO]- 228.13536 170.2
[M+CH3COO]- 242.15101 195.2
[M+Na-2H]- 204.11183 150.6
[M]+ 183.13661 153.3
[M]- 183.13771 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.