CID 13305546

75032-86-9

Structural Information

Molecular Formula
C5H9ClO3
SMILES
CC(COC)OC(=O)Cl
InChI
InChI=1S/C5H9ClO3/c1-4(3-8-2)9-5(6)7/h4H,3H2,1-2H3
InChIKey
ZMNJVBZJWSGGMG-UHFFFAOYSA-N
Compound name
1-methoxypropan-2-yl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

152.02402 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03130 126.6
[M+Na]+ 175.01324 134.9
[M-H]- 151.01674 127.2
[M+NH4]+ 170.05784 148.7
[M+K]+ 190.98718 134.5
[M+H-H2O]+ 135.02128 123.3
[M+HCOO]- 197.02222 145.3
[M+CH3COO]- 211.03787 174.1
[M+Na-2H]- 172.99869 131.5
[M]+ 152.02347 131.6
[M]- 152.02457 131.6
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