CID 9833937

4-(methylamino)butan-1-ol

Structural Information

Molecular Formula
C5H13NO
SMILES
CNCCCCO
InChI
InChI=1S/C5H13NO/c1-6-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKey
DBKSSENEKWOVKL-UHFFFAOYSA-N
Compound name
4-(methylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1550
Patents

103.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 121.9
[M+Na]+ 126.08894 128.3
[M-H]- 102.09244 120.9
[M+NH4]+ 121.13354 144.2
[M+K]+ 142.06288 127.8
[M+H-H2O]+ 86.096980 117.5
[M+HCOO]- 148.09792 145.8
[M+CH3COO]- 162.11357 168.2
[M+Na-2H]- 124.07439 129.2
[M]+ 103.09917 121.5
[M]- 103.10027 121.5
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