CID 39870404

22882-45-7

Structural Information

Molecular Formula
C5H7NO4
SMILES
COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]
InChI
InChI=1S/C5H7NO4/c1-10-5(7)3-2-4(3)6(8)9/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKey
IUWIUHGJPLTNRP-QWWZWVQMSA-N
Compound name
trans-methyl (1R,2R)-2-nitrocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.0375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.044776 123.0
[M+Na]+ 168.026718 132.7
[M-H]- 144.030224 128.2
[M+NH4]+ 163.071323 139.1
[M+K]+ 184.000658 127.7
[M+H-H2O]+ 128.034760 122.4
[M+HCOO]- 190.035701 148.3
[M+CH3COO]- 204.051351 171.8
[M+Na-2H]- 166.012166 130.4
[M]+ 145.03695142 125.7
[M]- 145.03804858 125.7
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.