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 122.7
[M+Na]+ 140.06820 129.4
[M-H]- 116.07170 123.7
[M+NH4]+ 135.11280 144.7
[M+K]+ 156.04214 125.3
[M+H-H2O]+ 100.07624 121.0
[M+HCOO]- 162.07718 146.4
[M+CH3COO]- 176.09283 166.6
[M+Na-2H]- 138.05365 130.4
[M]+ 117.07843 122.4
[M]- 117.07953 122.4
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.