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
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]+ 146.04478 123.0
[M+Na]+ 168.02672 132.7
[M-H]- 144.03022 128.2
[M+NH4]+ 163.07132 139.1
[M+K]+ 184.00066 127.7
[M+H-H2O]+ 128.03476 122.4
[M+HCOO]- 190.03570 148.3
[M+CH3COO]- 204.05135 171.8
[M+Na-2H]- 166.01217 130.4
[M]+ 145.03695 125.7
[M]- 145.03805 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.