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]+ 184.108046 138.2
[M+Na]+ 206.089988 142.2
[M-H]- 182.093494 143.9
[M+NH4]+ 201.134593 157.9
[M+K]+ 222.063928 143.6
[M+H-H2O]+ 166.098030 130.8
[M+HCOO]- 228.098971 165.0
[M+CH3COO]- 242.114621 191.7
[M+Na-2H]- 204.075436 144.3
[M]+ 183.10022142 136.3
[M]- 183.10131858 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.