CID 20153706

1-isocyanato-1-methylcyclopropane

Structural Information

Molecular Formula
C5H7NO
SMILES
CC1(CC1)N=C=O
InChI
InChI=1S/C5H7NO/c1-5(2-3-5)6-4-7/h2-3H2,1H3
InChIKey
FYORXHQVJPQLQE-UHFFFAOYSA-N
Compound name
1-isocyanato-1-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

97.052765 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 118.7
[M+Na]+ 120.041983 129.1
[M-H]- 96.045489 125.4
[M+NH4]+ 115.086588 139.5
[M+K]+ 136.015923 128.9
[M+H-H2O]+ 80.050025 114.2
[M+HCOO]- 142.050966 145.8
[M+CH3COO]- 156.066616 172.9
[M+Na-2H]- 118.027431 128.5
[M]+ 97.05221642 122.2
[M]- 97.05331358 122.2
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

patents stripe