CID 10219414

3-hydroxy-3-methylbutanamide

Structural Information

Molecular Formula
C5H11NO2
SMILES
CC(C)(CC(=O)N)O
InChI
InChI=1S/C5H11NO2/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H2,6,7)
InChIKey
QHNHAWNULKRVMJ-UHFFFAOYSA-N
Compound name
3-hydroxy-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

117.07898 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.1
[M+Na]+ 140.06820 131.0
[M-H]- 116.07170 122.9
[M+NH4]+ 135.11280 145.5
[M+K]+ 156.04214 130.8
[M+H-H2O]+ 100.07624 120.3
[M+HCOO]- 162.07718 145.2
[M+CH3COO]- 176.09283 169.7
[M+Na-2H]- 138.05365 129.7
[M]+ 117.07843 122.3
[M]- 117.07953 122.3
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