CID 37134563

1-(hydroxymethyl)cyclopropanecarboxamide

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CC1(CO)C(=O)N
InChI
InChI=1S/C5H9NO2/c6-4(8)5(3-7)1-2-5/h7H,1-3H2,(H2,6,8)
InChIKey
DTACPUNZACSGAZ-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)cyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

115.06333 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.4
[M+Na]+ 138.052548 130.5
[M-H]- 114.056054 124.8
[M+NH4]+ 133.097153 139.8
[M+K]+ 154.026488 129.2
[M+H-H2O]+ 98.060590 117.4
[M+HCOO]- 160.061531 144.1
[M+CH3COO]- 174.077181 171.4
[M+Na-2H]- 136.037996 128.3
[M]+ 115.06278142 122.0
[M]- 115.06387858 122.0
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