CID 116739

Bromo(1-(dimethylamino)propoxy)magnesium

Structural Information

Molecular Formula
C5H13NO
SMILES
CCC(N(C)C)O
InChI
InChI=1S/C5H13NO/c1-4-5(7)6(2)3/h5,7H,4H2,1-3H3
InChIKey
SUZOCIFIGKCISE-UHFFFAOYSA-N
Compound name
1-(dimethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5688
Patents

103.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 122.4
[M+Na]+ 126.08894 128.7
[M-H]- 102.09244 123.0
[M+NH4]+ 121.13354 145.3
[M+K]+ 142.06288 130.1
[M+H-H2O]+ 86.096980 117.9
[M+HCOO]- 148.09792 145.8
[M+CH3COO]- 162.11357 172.6
[M+Na-2H]- 124.07439 127.6
[M]+ 103.09917 122.6
[M]- 103.10027 122.6
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