CID 105427304

1-isocyanato-3-methoxycyclobutane

Structural Information

Molecular Formula
C6H9NO2
SMILES
COC1CC(C1)N=C=O
InChI
InChI=1S/C6H9NO2/c1-9-6-2-5(3-6)7-4-8/h5-6H,2-3H2,1H3
InChIKey
HFIRQBTYRUPDKE-UHFFFAOYSA-N
Compound name
1-isocyanato-3-methoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 120.2
[M+Na]+ 150.052548 126.6
[M-H]- 126.056054 125.3
[M+NH4]+ 145.097153 136.3
[M+K]+ 166.026488 130.1
[M+H-H2O]+ 110.060590 109.9
[M+HCOO]- 172.061531 145.5
[M+CH3COO]- 186.077181 178.8
[M+Na-2H]- 148.037996 127.2
[M]+ 127.06278142 130.0
[M]- 127.06387858 130.0
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.