CID 2759403

Methyl 2-isocyanatopropanoate

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC(C(=O)OC)N=C=O
InChI
InChI=1S/C5H7NO3/c1-4(6-3-7)5(8)9-2/h4H,1-2H3
InChIKey
ZYILYULSVKLHKZ-UHFFFAOYSA-N
Compound name
methyl 2-isocyanatopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

129.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 125.1
[M+Na]+ 152.03181 134.2
[M+NH4]+ 147.07641 131.7
[M+K]+ 168.00575 130.5
[M-H]- 128.03531 123.8
[M+Na-2H]- 150.01726 128.2
[M]+ 129.04204 125.5
[M]- 129.04314 125.5
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