CID 119693

27646-79-3

Structural Information

Molecular Formula
C5H13NO
SMILES
CCC(CO)NC
InChI
InChI=1S/C5H13NO/c1-3-5(4-7)6-2/h5-7H,3-4H2,1-2H3
InChIKey
HSHIHFMFJLIQDN-UHFFFAOYSA-N
Compound name
2-(methylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

483
Patents

103.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.106996 122.8
[M+Na]+ 126.088938 128.8
[M-H]- 102.092444 121.8
[M+NH4]+ 121.133543 145.0
[M+K]+ 142.062878 128.8
[M+H-H2O]+ 86.096980 118.3
[M+HCOO]- 148.097921 145.6
[M+CH3COO]- 162.113571 169.1
[M+Na-2H]- 124.074386 128.7
[M]+ 103.09917142 121.7
[M]- 103.10026858 121.7
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