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

26
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 123.7
[M+Na]+ 168.02672 128.4
[M-H]- 144.03022 126.0
[M+NH4]+ 163.07132 136.8
[M+K]+ 184.00066 127.9
[M+H-H2O]+ 128.03476 117.8
[M+HCOO]- 190.03570 145.2
[M+CH3COO]- 204.05135 169.2
[M+Na-2H]- 166.01217 129.4
[M]+ 145.03695 129.0
[M]- 145.03805 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