CID 170604

Carbonochloridic acid, 2-methyl-2-propen-1-yl ester

Structural Information

Molecular Formula
C5H7ClO2
SMILES
CC(=C)COC(=O)Cl
InChI
InChI=1S/C5H7ClO2/c1-4(2)3-8-5(6)7/h1,3H2,2H3
InChIKey
MGDDPXJDBGFXCY-UHFFFAOYSA-N
Compound name
2-methylprop-2-enyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

134.01346 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 122.4
[M+Na]+ 157.00268 131.1
[M-H]- 133.00618 123.1
[M+NH4]+ 152.04728 145.3
[M+K]+ 172.97662 129.6
[M+H-H2O]+ 117.01072 119.5
[M+HCOO]- 179.01166 141.1
[M+CH3COO]- 193.02731 171.2
[M+Na-2H]- 154.98813 127.4
[M]+ 134.01291 125.3
[M]- 134.01401 125.3
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