CID 156621080

[(3-isocyanopropoxy)methyl]cyclopropane

Structural Information

Molecular Formula
C8H13NO
SMILES
[C-]#[N+]CCCOCC1CC1
InChI
InChI=1S/C8H13NO/c1-9-5-2-6-10-7-8-3-4-8/h8H,2-7H2
InChIKey
JBPYSTQMGZINBJ-UHFFFAOYSA-N
Compound name
3-isocyanopropoxymethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 125.0
[M+Na]+ 162.088938 139.1
[M-H]- 138.092444 130.0
[M+NH4]+ 157.133543 141.5
[M+K]+ 178.062878 129.9
[M+H-H2O]+ 122.096980 120.2
[M+HCOO]- 184.097921 146.6
[M+CH3COO]- 198.113571 182.9
[M+Na-2H]- 160.074386 134.4
[M]+ 139.09917142 123.0
[M]- 139.10026858 123.0
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.