CID 22473426

(isocyanatomethyl)cyclopropane

Structural Information

Molecular Formula
C5H7NO
SMILES
C1CC1CN=C=O
InChI
InChI=1S/C5H7NO/c7-4-6-3-5-1-2-5/h5H,1-3H2
InChIKey
GVCHRKKMNKWGDS-UHFFFAOYSA-N
Compound name
isocyanatomethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
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 118.4
[M+Na]+ 120.041983 128.2
[M-H]- 96.045489 124.8
[M+NH4]+ 115.086588 137.3
[M+K]+ 136.015923 127.1
[M+H-H2O]+ 80.050025 112.6
[M+HCOO]- 142.050966 145.9
[M+CH3COO]- 156.066616 173.3
[M+Na-2H]- 118.027431 127.2
[M]+ 97.05221642 121.5
[M]- 97.05331358 121.5
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