CID 150796857

3-nitrocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C5H7NO4
SMILES
C1C(CC1[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C5H7NO4/c7-5(8)3-1-4(2-3)6(9)10/h3-4H,1-2H2,(H,7,8)
InChIKey
KFAJZVFTHDQWKV-UHFFFAOYSA-N
Compound name
3-nitrocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 123.7
[M+Na]+ 168.026718 128.4
[M-H]- 144.030224 126.0
[M+NH4]+ 163.071323 136.8
[M+K]+ 184.000658 127.9
[M+H-H2O]+ 128.034760 117.8
[M+HCOO]- 190.035701 145.2
[M+CH3COO]- 204.051351 169.2
[M+Na-2H]- 166.012166 129.4
[M]+ 145.03695142 129.0
[M]- 145.03804858 129.0
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