CID 157010252

Structural Information

Molecular Formula
C5H11NO2
SMILES
C[N+](C)CCC(=O)O
InChI
InChI=1S/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)/q+1
InChIKey
KAUSGXYXRRGGFJ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

117.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 121.5
[M+Na]+ 140.06820 132.6
[M+NH4]+ 135.11280 130.1
[M+K]+ 156.04214 129.4
[M-H]- 116.07170 122.5
[M+Na-2H]- 138.05365 126.0
[M]+ 117.07843 123.4
[M]- 117.07953 123.4
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.