CID 84073796

2-(aminomethyl)-2-methylbutanamide

Structural Information

Molecular Formula
C6H14N2O
SMILES
CCC(C)(CN)C(=O)N
InChI
InChI=1S/C6H14N2O/c1-3-6(2,4-7)5(8)9/h3-4,7H2,1-2H3,(H2,8,9)
InChIKey
BNPZINBKKBJOCV-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-2-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

130.11061 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.11789 129.5
[M+Na]+ 153.09983 135.5
[M-H]- 129.10333 129.0
[M+NH4]+ 148.14443 150.5
[M+K]+ 169.07377 135.1
[M+H-H2O]+ 113.10787 124.8
[M+HCOO]- 175.10881 151.9
[M+CH3COO]- 189.12446 177.7
[M+Na-2H]- 151.08528 134.1
[M]+ 130.11006 126.6
[M]- 130.11116 126.6
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