CID 16634

Butyrimidic acid, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
CCCC(=N)OCC
InChI
InChI=1S/C6H13NO/c1-3-5-6(7)8-4-2/h7H,3-5H2,1-2H3
InChIKey
JEZVIUQRUWOXRY-UHFFFAOYSA-N
Compound name
ethyl butanimidate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

279
Patents

115.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.3
[M+Na]+ 138.08894 131.8
[M-H]- 114.09244 125.7
[M+NH4]+ 133.13354 147.8
[M+K]+ 154.06288 131.9
[M+H-H2O]+ 98.096980 120.6
[M+HCOO]- 160.09792 149.5
[M+CH3COO]- 174.11357 173.2
[M+Na-2H]- 136.07439 131.3
[M]+ 115.09917 125.7
[M]- 115.10027 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe