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]+ 140.10700 125.0
[M+Na]+ 162.08894 139.1
[M-H]- 138.09244 130.0
[M+NH4]+ 157.13354 141.5
[M+K]+ 178.06288 129.9
[M+H-H2O]+ 122.09698 120.2
[M+HCOO]- 184.09792 146.6
[M+CH3COO]- 198.11357 182.9
[M+Na-2H]- 160.07439 134.4
[M]+ 139.09917 123.0
[M]- 139.10027 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.