CID 24839722

Isonitrinic acid f

Structural Information

Molecular Formula
C9H13NO2
SMILES
[C-]#[N+]C1CCC(C1)CCC(=O)O
InChI
InChI=1S/C9H13NO2/c1-10-8-4-2-7(6-8)3-5-9(11)12/h7-8H,2-6H2,(H,11,12)
InChIKey
HKRXZYVRWPLHPW-UHFFFAOYSA-N
Compound name
3-(3-isocyanocyclopentyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

167.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 137.1
[M+Na]+ 190.08386 146.8
[M+NH4]+ 185.12846 141.7
[M+K]+ 206.05780 141.9
[M-H]- 166.08736 131.0
[M+Na-2H]- 188.06931 137.6
[M]+ 167.09409 135.6
[M]- 167.09519 135.6
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