CID 97566

33024-58-7

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CN(C(=O)NC1CCCC=C1)N=O
InChI
InChI=1S/C8H13N3O2/c1-11(10-13)8(12)9-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3,(H,9,12)
InChIKey
XSSLGZDKHDRBIZ-UHFFFAOYSA-N
Compound name
3-cyclohex-2-en-1-yl-1-methyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 138.2
[M+Na]+ 206.08999 142.2
[M-H]- 182.09349 143.9
[M+NH4]+ 201.13459 157.9
[M+K]+ 222.06393 143.6
[M+H-H2O]+ 166.09803 130.8
[M+HCOO]- 228.09897 165.0
[M+CH3COO]- 242.11462 191.7
[M+Na-2H]- 204.07544 144.3
[M]+ 183.10022 136.3
[M]- 183.10132 136.3
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.