CID 84762174

1785081-65-3

Structural Information

Molecular Formula
C6H7NO2
SMILES
C1CC1(CC#N)C(=O)O
InChI
InChI=1S/C6H7NO2/c7-4-3-6(1-2-6)5(8)9/h1-3H2,(H,8,9)
InChIKey
GROPGZSACKAOTO-UHFFFAOYSA-N
Compound name
1-(cyanomethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.047676 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 122.7
[M+Na]+ 148.03689 138.3
[M-H]- 124.04040 128.6
[M+NH4]+ 143.08150 141.3
[M+K]+ 164.01083 133.6
[M+H-H2O]+ 108.04494 115.2
[M+HCOO]- 170.04588 143.4
[M+CH3COO]- 184.06153 184.5
[M+Na-2H]- 146.02234 131.4
[M]+ 125.04713 122.3
[M]- 125.04822 122.3
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.