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

33
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]+ 120.04198 129.1
[M-H]- 96.045489 125.4
[M+NH4]+ 115.08659 139.5
[M+K]+ 136.01592 128.9
[M+H-H2O]+ 80.050025 114.2
[M+HCOO]- 142.05097 145.8
[M+CH3COO]- 156.06662 172.9
[M+Na-2H]- 118.02743 128.5
[M]+ 97.052216 122.2
[M]- 97.053314 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