CID 23531340

580198-47-6

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)CC(=N)OC
InChI
InChI=1S/C6H13NO/c1-5(2)4-6(7)8-3/h5,7H,4H2,1-3H3
InChIKey
GHLCIJVNHOKREG-UHFFFAOYSA-N
Compound name
methyl 3-methylbutanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

115.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.7
[M+Na]+ 138.08894 132.0
[M-H]- 114.09244 126.2
[M+NH4]+ 133.13354 148.2
[M+K]+ 154.06288 132.5
[M+H-H2O]+ 98.096980 121.1
[M+HCOO]- 160.09792 149.0
[M+CH3COO]- 174.11357 174.0
[M+Na-2H]- 136.07439 130.4
[M]+ 115.09917 125.5
[M]- 115.10027 125.5
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