CID 12545025

4-(methylamino)butan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
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

No literature data available for this compound.

Patent stripe

patents stripe