CID 82669702

1521601-27-3

Structural Information

Molecular Formula
C7H10ClNO3
SMILES
COC(=O)C1(CC1)NC(=O)CCl
InChI
InChI=1S/C7H10ClNO3/c1-12-6(11)7(2-3-7)9-5(10)4-8/h2-4H2,1H3,(H,9,10)
InChIKey
ZMCWCMPFSWMBGH-UHFFFAOYSA-N
Compound name
methyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03493 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04221 136.6
[M+Na]+ 214.02415 145.8
[M-H]- 190.02765 141.3
[M+NH4]+ 209.06875 153.7
[M+K]+ 229.99809 143.5
[M+H-H2O]+ 174.03219 133.0
[M+HCOO]- 236.03313 155.8
[M+CH3COO]- 250.04878 184.6
[M+Na-2H]- 212.00960 142.3
[M]+ 191.03438 142.4
[M]- 191.03548 142.4
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

No patent data available for this compound.